3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C12H16N2O4 — CID 107369216

IUPAC3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCN(C(=O)c1cc(C(=O)O)on1)C1CCCC1
InChIInChI=1S/C12H16N2O4/c1-2-14(8-5-3-4-6-8)11(15)9-7-10(12(16)17)18-13-9/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyFCVLSBUIXTVFFA-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.78
Rot. Bonds4

About 3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369216) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369216
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCN(C(=O)c1cc(C(=O)O)on1)C1CCCC1
InChIInChI=1S/C12H16N2O4/c1-2-14(8-5-3-4-6-8)11(15)9-7-10(12(16)17)18-13-9/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyFCVLSBUIXTVFFA-UHFFFAOYSA-N
XLogP1.78
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369445
5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684743
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452
N-ethyl-5-methyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide
CID 60805893
3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369205
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
2-[cyclopentyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 60826942
N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 56760301
N-cyclopentyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 63037041
N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide
CID 56955976
6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide
CID 103187282
5-(aminomethyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 63723531

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369216) is 3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CCN(C(=O)c1cc(C(=O)O)on1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is FCVLSBUIXTVFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-14(8-5-3-4-6-8)11(15)9-7-10(12(16)17)18-13-9/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).