3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide

C70H109N15O11 — CID 159522256

IUPAC3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(N)=O)no1.CC(C)c1nc(C(N)=O)co1.CC(C)c1ncc(C(N)=O)o1.Cc1[nH]ncc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)o1.Cc1cnoc1C(C)C.Cc1cnoc1C(C)C.Cc1coc(C(C)C)n1
InChIInChI=1S/3C7H10N2O2.2C7H12N2.5C7H11NO/c1-4(2)7-9-5(3-11-7)6(8)10;1-4(2)7-9-3-5(11-7)6(8)10;1-4(2)6-3-5(7(8)10)9-11-6;2*1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;2*1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7/h3*3-4H,1-2H3,(H2,8,10);2*4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3
InChIKeyMBYJQNWMHLRBBP-UHFFFAOYSA-N
MW1336.74 g/mol
LogP16.91
Rot. Bonds13

About 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide

3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 159522256) has the molecular formula C70H109N15O11 and a molecular weight of 1336.74 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID159522256
Molecular FormulaC70H109N15O11
Molecular Weight1336.74 g/mol
Exact Mass1335.84
IUPAC Name3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(N)=O)no1.CC(C)c1nc(C(N)=O)co1.CC(C)c1ncc(C(N)=O)o1.Cc1[nH]ncc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)o1.Cc1cnoc1C(C)C.Cc1cnoc1C(C)C.Cc1coc(C(C)C)n1
InChIInChI=1S/3C7H10N2O2.2C7H12N2.5C7H11NO/c1-4(2)7-9-5(3-11-7)6(8)10;1-4(2)7-9-3-5(11-7)6(8)10;1-4(2)6-3-5(7(8)10)9-11-6;2*1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;2*1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7/h3*3-4H,1-2H3,(H2,8,10);2*4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3
InChIKeyMBYJQNWMHLRBBP-UHFFFAOYSA-N
XLogP16.91
TPSA394.87 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001336.74
LogP ≤ 516.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;tris(4-methyl-3-propan-2-yl-2H-pyrrole);5-methyl-3-propan-2-yl-2H-pyrrole;N-methyl-3-propan-2-yl-2H-pyrrole-5-carboxamide;2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide;5-propan-2-yl-1,2-oxazole-4-carboxamide;4-propan-2-yl-1H-pyrazole-5-carboxamide;3-propan-2-yl-2H-pyrrole-4-carboxamide;3-propan-2-yl-2H-pyrrole-5-carboxamide;3-propan-2-yl-2H-pyrrole-4-carboxylic acid;3-propan-2-yl-2H-pyrrole-5-carboxylic acid;1-propan-2-ylpyrrolidine
CID 157182485
N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;tris(4-methyl-3-propan-2-yl-2H-pyrrole);5-methyl-3-propan-2-yl-2H-pyrrole;N-methyl-3-propan-2-yl-2H-pyrrole-5-carboxamide;2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide;5-propan-2-yl-1,2-oxazole-4-carboxamide;4-propan-2-yl-1H-pyrazole-5-carboxamide;3-propan-2-yl-2H-pyrrole-4-carboxamide;3-propan-2-yl-2H-pyrrole-5-carboxamide;3-propan-2-yl-2H-pyrrole-4-carboxylic acid;3-propan-2-yl-2H-pyrrole-5-carboxylic acid
CID 157553403
1-tert-butyl-2,3-dihydropyridin-6-one;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;3-tert-butyl-5-ethynyl-2H-pyrrole;4-tert-butyl-5-ethynyl-2H-pyrrole;5-tert-butyl-2-ethynyl-3H-pyrrole;1-tert-butyl-2H-pyrrol-5-one
CID 157866721
CID 158355008
CID 158355008
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 158366146
2,3-dimethyl-5-propan-2-ylfuran;3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;2,4-dimethyl-5-propan-2-yl-1,3-oxazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(4-methyl-2-propan-2-yl-1,3-oxazole);4-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;tris(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole
CID 158487817
4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-3-methyl-1,2-thiazole
CID 158906464
1-cyclopropyl-3-propan-2-ylpyrazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
CID 159341001
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole
CID 159928640
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole);3-tert-butyl-5-methyl-1H-pyrazole
CID 160206721
4-tert-butyl-1-methylpyrazole;4-tert-butyl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole
CID 160249815
N,N-dimethyl-3-propan-2-yl-2H-pyrrole-4-carboxamide;N,N-dimethyl-3-propan-2-yl-2H-pyrrole-5-carboxamide;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;N-methyl-3-propan-2-yl-2H-pyrrole-4-carboxamide;N-methyl-3-propan-2-yl-2H-pyrrole-5-carboxamide;2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide;5-propan-2-yl-1,2-oxazole-4-carboxamide;4-propan-2-yl-1H-pyrazole-5-carboxamide;3-propan-2-yl-2H-pyrrole-4-carboxamide;3-propan-2-yl-2H-pyrrole-5-carboxamide;3-propan-2-yl-2H-pyrrole-4-carboxylic acid;3-propan-2-yl-2H-pyrrole-5-carboxylic acid;1-propan-2-ylpyrrolidine
CID 160463128

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 159522256) is 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(N)=O)no1.CC(C)c1nc(C(N)=O)co1.CC(C)c1ncc(C(N)=O)o1.Cc1[nH]ncc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)o1.Cc1cnoc1C(C)C.Cc1cnoc1C(C)C.Cc1coc(C(C)C)n1.
What is the InChIKey of 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is MBYJQNWMHLRBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H10N2O2.2C7H12N2.5C7H11NO/c1-4(2)7-9-5(3-11-7)6(8)10;1-4(2)7-9-3-5(11-7)6(8)10;1-4(2)6-3-5(7(8)10)9-11-6;2*1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;2*1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7/h3*3-4H,1-2H3,(H2,8,10);2*4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide?
3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 1336.74 g/mol, XLogP of 16.91, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(4-methyl-5-propan-2-yl-1,2-oxazole);5-methyl-2-propan-2-yl-1,3-oxazole;bis(5-methyl-4-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-oxazole-4-carboxamide;2-propan-2-yl-1,3-oxazole-5-carboxamide;5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159522256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).