N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide

C16H18N2O3 — CID 103751269

IUPACN-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1CO)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H18N2O3/c19-10-12-7-4-8-13(12)17-16(20)14-9-15(21-18-14)11-5-2-1-3-6-11/h1-3,5-6,9,12-13,19H,4,7-8,10H2,(H,17,20)
InChIKeyVMYVALNYKFEFRW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.23
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 103751269) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID103751269
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1CO)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H18N2O3/c19-10-12-7-4-8-13(12)17-16(20)14-9-15(21-18-14)11-5-2-1-3-6-11/h1-3,5-6,9,12-13,19H,4,7-8,10H2,(H,17,20)
InChIKeyVMYVALNYKFEFRW-UHFFFAOYSA-N
XLogP2.23
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
4-amino-N-[2-(hydroxymethyl)cyclopentyl]quinoline-2-carboxamide
CID 103856999
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130333086
N-[3-[2-(hydroxymethyl)-1,3-oxazol-5-yl]cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327566
N-(2-amino-1-cyclohexylethyl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119589991
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 75429233
N-cyclobutyl-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 144981703

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 103751269) is N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NC1CCCC1CO)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is VMYVALNYKFEFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-10-12-7-4-8-13(12)17-16(20)14-9-15(21-18-14)11-5-2-1-3-6-11/h1-3,5-6,9,12-13,19H,4,7-8,10H2,(H,17,20).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 103751269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).