2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole

C73H127N9O9 — CID 157343900

IUPAC2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole
SMILESCC1(C)COC(C(C)(C)C)=N1.CC1CC(C(C)(C)C)=NO1.CC1CN=C(C(C)(C)C)O1.CC1COC(C(C)(C)C)=N1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cnc(C(C)(C)C)o1.Cc1coc(C(C)(C)C)n1.Cc1conc1C(C)(C)C
InChIInChI=1S/C9H17NO.C8H15NO.C8H13NO.C8H15NO.2C8H13NO.C8H15NO.2C8H13NO/c1-8(2,3)7-10-9(4,5)6-11-7;2*1-6-5-10-7(9-6)8(2,3)4;2*1-6-5-9-7(10-6)8(2,3)4;1-6-5-10-9-7(6)8(2,3)4;2*1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6H2,1-5H3;6H,5H2,1-4H3;5H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3
InChIKeyBGSLEKVTYMHWTR-UHFFFAOYSA-N
MW1274.87 g/mol
LogP19.54
Rot. Bonds

About 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole

2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole (PubChem CID 157343900) has the molecular formula C73H127N9O9 and a molecular weight of 1274.87 g/mol. Its IUPAC name is 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole
PubChem CID157343900
Molecular FormulaC73H127N9O9
Molecular Weight1274.87 g/mol
Exact Mass1273.98
IUPAC Name2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole
SMILESCC1(C)COC(C(C)(C)C)=N1.CC1CC(C(C)(C)C)=NO1.CC1CN=C(C(C)(C)C)O1.CC1COC(C(C)(C)C)=N1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cnc(C(C)(C)C)o1.Cc1coc(C(C)(C)C)n1.Cc1conc1C(C)(C)C
InChIInChI=1S/C9H17NO.C8H15NO.C8H13NO.C8H15NO.2C8H13NO.C8H15NO.2C8H13NO/c1-8(2,3)7-10-9(4,5)6-11-7;2*1-6-5-10-7(9-6)8(2,3)4;2*1-6-5-9-7(10-6)8(2,3)4;1-6-5-10-9-7(6)8(2,3)4;2*1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6H2,1-5H3;6H,5H2,1-4H3;5H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3
InChIKeyBGSLEKVTYMHWTR-UHFFFAOYSA-N
XLogP19.54
TPSA216.51 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.87
LogP ≤ 519.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

5-(Difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 165033333
1-Cyclopropyl-3-methyl-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3-fluoro-1-methyl-4-propan-2-ylpyrazole;5-fluoro-1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
CID 157143588
2-Methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole
CID 157448271
2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 157590126
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
2,4-Ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole
CID 157921630
3-Tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,5-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole
CID 157949331
4-tert-butyl-2H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 157991158
Ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
CID 158028114
4-(2,2-dimethylpropyl)-3,5-dimethyl-2H-pyrrole;2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-4-methyl-2H-pyrrole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2H-pyrrole
CID 158169819
Argon;ethane;2-methylpropane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole
CID 158201256
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-2H-pyrrole;4-tert-butyl-5-ethynyl-2H-pyrrole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 158622465

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole?
The IUPAC name of 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole (CID 157343900) is 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole?
The canonical SMILES for 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole is CC1(C)COC(C(C)(C)C)=N1.CC1CC(C(C)(C)C)=NO1.CC1CN=C(C(C)(C)C)O1.CC1COC(C(C)(C)C)=N1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cnc(C(C)(C)C)o1.Cc1coc(C(C)(C)C)n1.Cc1conc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole?
The InChIKey is BGSLEKVTYMHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C8H15NO.C8H13NO.C8H15NO.2C8H13NO.C8H15NO.2C8H13NO/c1-8(2,3)7-10-9(4,5)6-11-7;2*1-6-5-10-7(9-6)8(2,3)4;2*1-6-5-9-7(10-6)8(2,3)4;1-6-5-10-9-7(6)8(2,3)4;2*1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6H2,1-5H3;6H,5H2,1-4H3;5H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3.
What are the key properties of 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole?
2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole has a molecular weight of 1274.87 g/mol, XLogP of 19.54, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 157343900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).