N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide

C15H16N2O3 — CID 133159030

IUPACN-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1conc1-c1ccccc1
InChIInChI=1S/C15H16N2O3/c18-15(16-9-12-7-4-8-19-12)13-10-20-17-14(13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,16,18)
InChIKeyNOCUUSUDWPTOFG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.25
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide

N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 133159030) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID133159030
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1conc1-c1ccccc1
InChIInChI=1S/C15H16N2O3/c18-15(16-9-12-7-4-8-19-12)13-10-20-17-14(13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,16,18)
InChIKeyNOCUUSUDWPTOFG-UHFFFAOYSA-N
XLogP2.25
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854999
N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2-propylfuran-3-carboxamide
CID 27244468
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
1-N-[[(2S)-oxolan-2-yl]methyl]-2-N,2-N-diphenylbenzene-1,2-dicarboxamide
CID 1277512
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 133159030) is N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide is O=C(NCC1CCCO1)c1conc1-c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is NOCUUSUDWPTOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(16-9-12-7-4-8-19-12)13-10-20-17-14(13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,16,18).
What are the key properties of N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 133159030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).