2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide

C17H12BrN3O3 — CID 90514961

IUPAC2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2cccc(Br)c2)co1)c1ccccc1
InChIInChI=1S/C17H12BrN3O3/c18-12-7-4-8-13(9-12)19-16(23)14-10-24-17(20-14)21-15(22)11-5-2-1-3-6-11/h1-10H,(H,19,23)(H,20,21,22)
InChIKeyCCEDYHOFXUTWJG-UHFFFAOYSA-N
MW386.21 g/mol
LogP3.94
Rot. Bonds4

About 2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide

2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 90514961) has the molecular formula C17H12BrN3O3 and a molecular weight of 386.21 g/mol. Its IUPAC name is 2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide
PubChem CID90514961
Molecular FormulaC17H12BrN3O3
Molecular Weight386.21 g/mol
Exact Mass385.01
IUPAC Name2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2cccc(Br)c2)co1)c1ccccc1
InChIInChI=1S/C17H12BrN3O3/c18-12-7-4-8-13(9-12)19-16(23)14-10-24-17(20-14)21-15(22)11-5-2-1-3-6-11/h1-10H,(H,19,23)(H,20,21,22)
InChIKeyCCEDYHOFXUTWJG-UHFFFAOYSA-N
XLogP3.94
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 52907899
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(3-acetylphenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907935
N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788372
3-bromo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669415
2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid
CID 91669614
N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 5176443
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
5-[(3-bromophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607089
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
2-benzamido-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 90514925
N-(3-bromophenyl)-4-carbamothioylbenzamide
CID 24708303

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide (CID 90514961) is 2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide is O=C(Nc1nc(C(=O)Nc2cccc(Br)c2)co1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CCEDYHOFXUTWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O3/c18-12-7-4-8-13(9-12)19-16(23)14-10-24-17(20-14)21-15(22)11-5-2-1-3-6-11/h1-10H,(H,19,23)(H,20,21,22).
What are the key properties of 2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide?
2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 386.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90514961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).