N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine

C66H112N20O7S2 — CID 158058571

IUPACN,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(N)[nH]1.CC(C)c1coc(N)n1.CC(C)c1csc(N)n1.CC(C)c1nc(CN(C)C)no1.COCc1noc(C(C)C)n1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)[nH]1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1
InChIInChI=1S/C8H15N3O.C7H12N2O2.C7H12N2.C7H11NO.C7H11NS.C6H11N3.3C6H10N2O.C6H10N2S/c1-6(2)8-9-7(10-12-8)5-11(3)4;1-5(2)7-8-6(4-10-3)9-11-7;1-5(2)7-4-8-6(3)9-7;2*1-5(2)7-4-9-6(3)8-7;1-4(2)5-3-8-6(7)9-5;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;2*1-4(2)5-3-9-6(7)8-5/h6H,5H2,1-4H3;5H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-4H,1-2H3,(H3,7,8,9);2*4H,1-3H3;2*3-4H,1-2H3,(H2,7,8)
InChIKeyFKJDVPJQUHCZNR-UHFFFAOYSA-N
MW1361.89 g/mol
LogP16.46
Rot. Bonds14

About N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine

N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 158058571) has the molecular formula C66H112N20O7S2 and a molecular weight of 1361.89 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID158058571
Molecular FormulaC66H112N20O7S2
Molecular Weight1361.89 g/mol
Exact Mass1360.85
IUPAC NameN,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(N)[nH]1.CC(C)c1coc(N)n1.CC(C)c1csc(N)n1.CC(C)c1nc(CN(C)C)no1.COCc1noc(C(C)C)n1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)[nH]1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1
InChIInChI=1S/C8H15N3O.C7H12N2O2.C7H12N2.C7H11NO.C7H11NS.C6H11N3.3C6H10N2O.C6H10N2S/c1-6(2)8-9-7(10-12-8)5-11(3)4;1-5(2)7-8-6(4-10-3)9-11-7;1-5(2)7-4-8-6(3)9-7;2*1-5(2)7-4-9-6(3)8-7;1-4(2)5-3-8-6(7)9-5;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;2*1-4(2)5-3-9-6(7)8-5/h6H,5H2,1-4H3;5H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-4H,1-2H3,(H3,7,8,9);2*4H,1-3H3;2*3-4H,1-2H3,(H2,7,8)
InChIKeyFKJDVPJQUHCZNR-UHFFFAOYSA-N
XLogP16.46
TPSA381.41 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001361.89
LogP ≤ 516.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine (CID 158058571) is N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1cnc(N)[nH]1.CC(C)c1coc(N)n1.CC(C)c1csc(N)n1.CC(C)c1nc(CN(C)C)no1.COCc1noc(C(C)C)n1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)[nH]1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is FKJDVPJQUHCZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.C7H12N2O2.C7H12N2.C7H11NO.C7H11NS.C6H11N3.3C6H10N2O.C6H10N2S/c1-6(2)8-9-7(10-12-8)5-11(3)4;1-5(2)7-8-6(4-10-3)9-11-7;1-5(2)7-4-8-6(3)9-7;2*1-5(2)7-4-9-6(3)8-7;1-4(2)5-3-8-6(7)9-5;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;2*1-4(2)5-3-9-6(7)8-5/h6H,5H2,1-4H3;5H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-4H,1-2H3,(H3,7,8,9);2*4H,1-3H3;2*3-4H,1-2H3,(H2,7,8).
What are the key properties of N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine?
N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 1361.89 g/mol, XLogP of 16.46, 14 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;3-(methoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-imidazol-2-amine;4-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 158058571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).