[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C14H20N2O4 — CID 7737605

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC2CCCCCC2)on1
InChIInChI=1S/C14H20N2O4/c1-10-8-12(20-16-10)14(18)19-9-13(17)15-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,15,17)
InChIKeyCHDWEBKIIOWRSR-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.98
Rot. Bonds4

About [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 7737605) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID7737605
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC2CCCCCC2)on1
InChIInChI=1S/C14H20N2O4/c1-10-8-12(20-16-10)14(18)19-9-13(17)15-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,15,17)
InChIKeyCHDWEBKIIOWRSR-UHFFFAOYSA-N
XLogP1.98
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-(cycloheptylcarbamoyl)-1,2-oxazole-5-carboxylate
CID 121560384
N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
CID 164634692
[3-(Trifluoromethyl)-1,2-oxazol-5-yl]methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 132318591
1-(3-methyl-1,2-oxazol-5-yl)ethyl N-cyclohexylcarbamate
CID 12920332
Methyl 3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate
CID 18759156
methyl (2S)-3-methyl-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxycarbonylamino]butanoate
CID 54042402
3-(Benzyloxycarbonylamino-methyl)-isoxazole-5-carboxylic acid
CID 57537854
N-(2,2-dimethoxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156955
(3-carbamoyl-1,2-oxazol-5-yl)methyl N-(azepan-4-yl)carbamate
CID 66661027
5-(methoxymethyl)-N-(2-methoxypropyl)-1,2-oxazole-3-carboxamide
CID 132028102
5-(methoxymethyl)-N-(2-methoxy-2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 132028112
N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 135132598

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 7737605) is [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)NC2CCCCCC2)on1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is CHDWEBKIIOWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-8-12(20-16-10)14(18)19-9-13(17)15-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,15,17).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 7737605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).