N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide

C19H18N2O3 — CID 110680851

IUPACN-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1c(-c2ccccc2)c(=O)on1C
InChIInChI=1S/C19H18N2O3/c1-20(13-14-9-5-3-6-10-14)18(22)17-16(19(23)24-21(17)2)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyQEBDYCVBEMMRQI-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.92
Rot. Bonds4

About N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide

N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110680851) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110680851
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1c(-c2ccccc2)c(=O)on1C
InChIInChI=1S/C19H18N2O3/c1-20(13-14-9-5-3-6-10-14)18(22)17-16(19(23)24-21(17)2)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyQEBDYCVBEMMRQI-UHFFFAOYSA-N
XLogP2.92
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (CID 110680851) is N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is CN(Cc1ccccc1)C(=O)c1c(-c2ccccc2)c(=O)on1C.
What is the InChIKey of N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is QEBDYCVBEMMRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-20(13-14-9-5-3-6-10-14)18(22)17-16(19(23)24-21(17)2)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110680851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).