4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide

C16H26N4O3 — CID 75462449

IUPAC4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1
InChIInChI=1S/C16H26N4O3/c1-10-14(11(2)23-19-10)9-20(4)16(22)18-13-7-5-12(6-8-13)15(21)17-3/h12-13H,5-9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyMVLJGYWPCWPOQD-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.74
Rot. Bonds4

About 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide

4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 75462449) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide
PubChem CID75462449
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1
InChIInChI=1S/C16H26N4O3/c1-10-14(11(2)23-19-10)9-20(4)16(22)18-13-7-5-12(6-8-13)15(21)17-3/h12-13H,5-9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyMVLJGYWPCWPOQD-UHFFFAOYSA-N
XLogP1.74
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide (CID 75462449) is 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1.
What is the InChIKey of 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is MVLJGYWPCWPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10-14(11(2)23-19-10)9-20(4)16(22)18-13-7-5-12(6-8-13)15(21)17-3/h12-13H,5-9H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide?
4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 75462449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).