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

C15H16N2O3 — CID 115877876

IUPACN-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NC1(CO)CCC1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C15H16N2O3/c18-10-15(7-4-8-15)16-14(19)13-9-12(17-20-13)11-5-2-1-3-6-11/h1-3,5-6,9,18H,4,7-8,10H2,(H,16,19)
InChIKeyRHPJGCXARDCRDF-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.99
Rot. Bonds4

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

N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 115877876) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID115877876
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NC1(CO)CCC1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C15H16N2O3/c18-10-15(7-4-8-15)16-14(19)13-9-12(17-20-13)11-5-2-1-3-6-11/h1-3,5-6,9,18H,4,7-8,10H2,(H,16,19)
InChIKeyRHPJGCXARDCRDF-UHFFFAOYSA-N
XLogP1.99
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115877949
N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55082649
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 56749202
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
N-[1-(hydroxymethyl)cyclopentyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110008669
3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 55670941
N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262550
N-[1-(hydroxymethyl)cyclobutyl]-5-methylfuran-2-carboxamide
CID 115877897
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135115347
N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262543

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 115877876) is N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is O=C(NC1(CO)CCC1)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is RHPJGCXARDCRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-10-15(7-4-8-15)16-14(19)13-9-12(17-20-13)11-5-2-1-3-6-11/h1-3,5-6,9,18H,4,7-8,10H2,(H,16,19).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 115877876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).