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

C15H16N2O3 — CID 2962283

IUPACN-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C15H16N2O3/c18-15(16-10-12-7-4-8-19-12)13-9-14(20-17-13)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,16,18)
InChIKeyLCLKBKFMRJMPKW-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.25
Rot. Bonds4

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

N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 2962283) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID2962283
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C15H16N2O3/c18-15(16-10-12-7-4-8-19-12)13-9-14(20-17-13)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,16,18)
InChIKeyLCLKBKFMRJMPKW-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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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 2962283) is N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCC1CCCO1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is LCLKBKFMRJMPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(16-10-12-7-4-8-19-12)13-9-14(20-17-13)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,16,18).
What are the key properties of N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-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)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2962283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).