N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide

C15H16N2O2 — CID 33379552

IUPACN-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C15H16N2O2/c18-15(16-10-11-5-4-6-11)13-9-14(19-17-13)12-7-2-1-3-8-12/h1-3,7-9,11H,4-6,10H2,(H,16,18)
InChIKeyYBWKJYLKXWWDNT-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.87
Rot. Bonds4

About N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 33379552) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID33379552
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C15H16N2O2/c18-15(16-10-11-5-4-6-11)13-9-14(19-17-13)12-7-2-1-3-8-12/h1-3,7-9,11H,4-6,10H2,(H,16,18)
InChIKeyYBWKJYLKXWWDNT-UHFFFAOYSA-N
XLogP2.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129247026
5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 121109096
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907100
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907101
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 103751269
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037
N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86876644
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86902989

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 33379552) is N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCC1CCC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is YBWKJYLKXWWDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(16-10-11-5-4-6-11)13-9-14(19-17-13)12-7-2-1-3-8-12/h1-3,7-9,11H,4-6,10H2,(H,16,18).
What are the key properties of N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 33379552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).