methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate

C16H22N2O4 — CID 94866081

IUPACmethyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(C3CC3)on2)CCC(C)CC1
InChIInChI=1S/C16H22N2O4/c1-10-5-7-16(8-6-10,15(20)21-2)17-14(19)12-9-13(22-18-12)11-3-4-11/h9-11H,3-8H2,1-2H3,(H,17,19)
InChIKeySMLFAOSNPHUCGY-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.40
Rot. Bonds4

About methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate

methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate (PubChem CID 94866081) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate
PubChem CID94866081
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(C3CC3)on2)CCC(C)CC1
InChIInChI=1S/C16H22N2O4/c1-10-5-7-16(8-6-10,15(20)21-2)17-14(19)12-9-13(22-18-12)11-3-4-11/h9-11H,3-8H2,1-2H3,(H,17,19)
InChIKeySMLFAOSNPHUCGY-UHFFFAOYSA-N
XLogP2.40
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-methyl-1-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55981570
methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 51084600
methyl 1-[(3-bromobenzoyl)amino]-4-methylcyclohexane-1-carboxylate
CID 55808918
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77113501
5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide
CID 114211248
5-cyclopropyl-N-methylsulfonyl-1,2-oxazole-3-carboxamide
CID 154774184
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate
CID 154791565
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780615
methyl 4-methyl-1-[[2-(2,4,5-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 11012978
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate (CID 94866081) is methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2cc(C3CC3)on2)CCC(C)CC1.
What is the InChIKey of methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate?
The InChIKey is SMLFAOSNPHUCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10-5-7-16(8-6-10,15(20)21-2)17-14(19)12-9-13(22-18-12)11-3-4-11/h9-11H,3-8H2,1-2H3,(H,17,19).
What are the key properties of methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate?
methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 94866081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).