N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide

C17H12BrN3O3 — CID 154688307

IUPACN-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2Br)c1)c1cnco1
InChIInChI=1S/C17H12BrN3O3/c18-14-7-2-1-6-13(14)16(22)20-11-4-3-5-12(8-11)21-17(23)15-9-19-10-24-15/h1-10H,(H,20,22)(H,21,23)
InChIKeyBBIMVOFLPYQWFY-UHFFFAOYSA-N
MW386.21 g/mol
LogP3.94
Rot. Bonds4

About N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide

N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 154688307) has the molecular formula C17H12BrN3O3 and a molecular weight of 386.21 g/mol. Its IUPAC name is N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide
PubChem CID154688307
Molecular FormulaC17H12BrN3O3
Molecular Weight386.21 g/mol
Exact Mass385.01
IUPAC NameN-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2Br)c1)c1cnco1
InChIInChI=1S/C17H12BrN3O3/c18-14-7-2-1-6-13(14)16(22)20-11-4-3-5-12(8-11)21-17(23)15-9-19-10-24-15/h1-10H,(H,20,22)(H,21,23)
InChIKeyBBIMVOFLPYQWFY-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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide (CID 154688307) is N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide is O=C(Nc1cccc(NC(=O)c2ccccc2Br)c1)c1cnco1.
What is the InChIKey of N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is BBIMVOFLPYQWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O3/c18-14-7-2-1-6-13(14)16(22)20-11-4-3-5-12(8-11)21-17(23)15-9-19-10-24-15/h1-10H,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide?
N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-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 N-[3-[(2-bromobenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 154688307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).