2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide

C10H6BrClN2O2 — CID 170985777

IUPAC2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(Br)o1
InChIInChI=1S/C10H6BrClN2O2/c11-10-13-5-8(16-10)9(15)14-7-3-1-6(12)2-4-7/h1-5H,(H,14,15)
InChIKeyVQHSRNAQDUOOAC-UHFFFAOYSA-N
MW301.53 g/mol
LogP3.34
Rot. Bonds2

About 2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide

2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide (PubChem CID 170985777) has the molecular formula C10H6BrClN2O2 and a molecular weight of 301.53 g/mol. Its IUPAC name is 2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide
PubChem CID170985777
Molecular FormulaC10H6BrClN2O2
Molecular Weight301.53 g/mol
Exact Mass299.93
IUPAC Name2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(Br)o1
InChIInChI=1S/C10H6BrClN2O2/c11-10-13-5-8(16-10)9(15)14-7-3-1-6(12)2-4-7/h1-5H,(H,14,15)
InChIKeyVQHSRNAQDUOOAC-UHFFFAOYSA-N
XLogP3.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide
CID 110702258
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074
2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 167618481
5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 39867589
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
2-bromo-1,3-oxazole-5-carboxamide
CID 121231880
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide (CID 170985777) is 2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnc(Br)o1.
What is the InChIKey of 2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is VQHSRNAQDUOOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O2/c11-10-13-5-8(16-10)9(15)14-7-3-1-6(12)2-4-7/h1-5H,(H,14,15).
What are the key properties of 2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide?
2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 301.53 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 170985777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).