trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate

C12H15N2O4- — CID 6937174

IUPACtrans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate
SMILESCc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])no1
InChIInChI=1S/C12H16N2O4/c1-7-6-10(14-18-7)13-11(15)8-4-2-3-5-9(8)12(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)/p-1/t8-,9-/m0/s1
InChIKeyGIPYUJSFJNPNKL-IUCAKERBSA-M
MW251.26 g/mol
LogP0.48
Rot. Bonds3

About trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate

trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate (PubChem CID 6937174) has the molecular formula C12H15N2O4- and a molecular weight of 251.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate
PubChem CID6937174
Molecular FormulaC12H15N2O4-
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Nametrans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate
SMILESCc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])no1
InChIInChI=1S/C12H16N2O4/c1-7-6-10(14-18-7)13-11(15)8-4-2-3-5-9(8)12(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)/p-1/t8-,9-/m0/s1
InChIKeyGIPYUJSFJNPNKL-IUCAKERBSA-M
XLogP0.48
TPSA95.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-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

2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2862512
2-N-cycloheptyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139807
(1S,2S,3S,4S)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 18557879
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
N-(5-methyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 18071476
1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149703
(1R,2S,4S)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6593221
(1S,2S,4R)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 1205649
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
(1R,2S,3S,4R)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18390236
1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139692
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131597

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate (CID 6937174) is trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate is Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])no1.
What is the InChIKey of trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is GIPYUJSFJNPNKL-IUCAKERBSA-M. The full InChI is InChI=1S/C12H16N2O4/c1-7-6-10(14-18-7)13-11(15)8-4-2-3-5-9(8)12(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)/p-1/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate?
trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 6937174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).