ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate

C18H28N2O4 — CID 166888479

IUPACethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)[C@@H](NC(=O)c1conc1C(C)C)C1CCC(C)CC1
InChIInChI=1S/C18H28N2O4/c1-5-23-18(22)16(13-8-6-12(4)7-9-13)19-17(21)14-10-24-20-15(14)11(2)3/h10-13,16H,5-9H2,1-4H3,(H,19,21)/t12?,13?,16-/m0/s1
InChIKeyIOPGJMXVLZYFTN-ZUEPYMLJSA-N
MW336.43 g/mol
LogP3.29
Rot. Bonds6

About ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate

ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate (PubChem CID 166888479) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate
PubChem CID166888479
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nameethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)[C@@H](NC(=O)c1conc1C(C)C)C1CCC(C)CC1
InChIInChI=1S/C18H28N2O4/c1-5-23-18(22)16(13-8-6-12(4)7-9-13)19-17(21)14-10-24-20-15(14)11(2)3/h10-13,16H,5-9H2,1-4H3,(H,19,21)/t12?,13?,16-/m0/s1
InChIKeyIOPGJMXVLZYFTN-ZUEPYMLJSA-N
XLogP3.29
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate with MolForge

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Related Compounds

ethyl (2S)-2-(4-methylcyclohexyl)-2-[[2-(2-methylsulfonylethyl)pyrazole-3-carbonyl]amino]acetate
CID 166888498
ethyl 2-cyclopropyl-2-[(4,5-dichlorothiophene-2-carbonyl)amino]acetate
CID 156517523
2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 137363195
N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 162362278
ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
CID 61310739
3-(aminomethyl)-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 146576023
3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 162362243
ethyl 2-(cyclopentylamino)-2-cyclopropylacetate
CID 61310564
ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate
CID 63243710
methyl (2S)-2-(4-methylcyclohexyl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-2-carbonyl]amino]acetate
CID 131738625
N-[(1S)-2-[4-(2,4-dimethyl-3-pyridinyl)anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 164514368
ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate
CID 83041957

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate (CID 166888479) is ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate is CCOC(=O)[C@@H](NC(=O)c1conc1C(C)C)C1CCC(C)CC1.
What is the InChIKey of ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate?
The InChIKey is IOPGJMXVLZYFTN-ZUEPYMLJSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-23-18(22)16(13-8-6-12(4)7-9-13)19-17(21)14-10-24-20-15(14)11(2)3/h10-13,16H,5-9H2,1-4H3,(H,19,21)/t12?,13?,16-/m0/s1.
What are the key properties of ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate?
ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate has a molecular weight of 336.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(4-methylcyclohexyl)-2-[(3-propan-2-yl-1,2-oxazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 166888479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).