1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide

C11H17N3O2 — CID 64552972

IUPAC1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)Nc2cnoc2)C1
InChIInChI=1S/C11H17N3O2/c1-8-3-2-4-11(12,5-8)10(15)14-9-6-13-16-7-9/h6-8H,2-5,12H2,1H3,(H,14,15)
InChIKeyGQTUDGRNYQFVFQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.52
Rot. Bonds2

About 1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide

1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide (PubChem CID 64552972) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide
PubChem CID64552972
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)Nc2cnoc2)C1
InChIInChI=1S/C11H17N3O2/c1-8-3-2-4-11(12,5-8)10(15)14-9-6-13-16-7-9/h6-8H,2-5,12H2,1H3,(H,14,15)
InChIKeyGQTUDGRNYQFVFQ-UHFFFAOYSA-N
XLogP1.52
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
CID 64551233
1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
CID 64550871
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64550053
2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341108
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
1-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64549223
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550233
1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
CID 64555277

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide (CID 64552972) is 1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)Nc2cnoc2)C1.
What is the InChIKey of 1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide?
The InChIKey is GQTUDGRNYQFVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-2-4-11(12,5-8)10(15)14-9-6-13-16-7-9/h6-8H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide?
1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64552972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).