methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate

C13H18N2O4 — CID 113248111

IUPACmethyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ocnc2C)CC1
InChIInChI=1S/C13H18N2O4/c1-8-11(19-7-14-8)12(16)15-10-5-3-9(4-6-10)13(17)18-2/h7,9-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyRIWBNUCLFJSESS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.44
Rot. Bonds3

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

methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 113248111) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID113248111
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ocnc2C)CC1
InChIInChI=1S/C13H18N2O4/c1-8-11(19-7-14-8)12(16)15-10-5-3-9(4-6-10)13(17)18-2/h7,9-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyRIWBNUCLFJSESS-UHFFFAOYSA-N
XLogP1.44
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 81478804
4-methyl-N-piperidin-3-yl-1,3-oxazole-5-carboxamide
CID 81471254
N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 169418414
N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 169414968
methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67185079
methyl 4-[(4-iodobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617185
methyl 4-[(4-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617198
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110125439
N-[(3aR,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 138022364
methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
methyl (2R)-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79833950

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate (CID 113248111) is methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2ocnc2C)CC1.
What is the InChIKey of methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is RIWBNUCLFJSESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-11(19-7-14-8)12(16)15-10-5-3-9(4-6-10)13(17)18-2/h7,9-10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 113248111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).