N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide

C19H14N4O3 — CID 10043226

IUPACN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccno1
InChIInChI=1S/C19H14N4O3/c24-18(15-10-11-20-26-15)23-17-19(25)21-14-9-5-4-8-13(14)16(22-17)12-6-2-1-3-7-12/h1-11,17H,(H,21,25)(H,23,24)
InChIKeyKQMLUNVZHDNYTH-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.22
Rot. Bonds3

About N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 10043226) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID10043226
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccno1
InChIInChI=1S/C19H14N4O3/c24-18(15-10-11-20-26-15)23-17-19(25)21-14-9-5-4-8-13(14)16(22-17)12-6-2-1-3-7-12/h1-11,17H,(H,21,25)(H,23,24)
InChIKeyKQMLUNVZHDNYTH-UHFFFAOYSA-N
XLogP2.22
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide (CID 10043226) is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide is O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccno1.
What is the InChIKey of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is KQMLUNVZHDNYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-18(15-10-11-20-26-15)23-17-19(25)21-14-9-5-4-8-13(14)16(22-17)12-6-2-1-3-7-12/h1-11,17H,(H,21,25)(H,23,24).
What are the key properties of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide?
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 10043226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).