N-(4-bromophenyl)-1,2-oxazole-5-carboxamide

C10H7BrN2O2 — CID 18587281

IUPACN-(4-bromophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccno1
InChIInChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-10(14)9-5-6-12-15-9/h1-6H,(H,13,14)
InChIKeyPCUKCLIWBVCTLL-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.69
Rot. Bonds2

About N-(4-bromophenyl)-1,2-oxazole-5-carboxamide

N-(4-bromophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 18587281) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is N-(4-bromophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1,2-oxazole-5-carboxamide
PubChem CID18587281
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC NameN-(4-bromophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccno1
InChIInChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-10(14)9-5-6-12-15-9/h1-6H,(H,13,14)
InChIKeyPCUKCLIWBVCTLL-UHFFFAOYSA-N
XLogP2.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(2-(piperidin-1-yl)phenyl)isoxazole-5-carboxamide
CID 11277266
N-(4-chlorophenyl)isoxazole-5-carboxamide
CID 2744445
N-(4-fluorophenyl)isoxazole-5-carboxamide
CID 18587294
N-[5-(2-aminoanilino)-5-oxopentyl]-1,2-oxazole-5-carboxamide
CID 60207654
N-(4-nitrophenyl)isoxazole-5-carboxamide
CID 18587279
N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 2744444
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 9456810
N-phenyl-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 121439909
N-[(4-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide
CID 2744430
N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 24694837
N-(4-bromo-2-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 33619705

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1,2-oxazole-5-carboxamide (CID 18587281) is N-(4-bromophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccno1.
What is the InChIKey of N-(4-bromophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is PCUKCLIWBVCTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-10(14)9-5-6-12-15-9/h1-6H,(H,13,14).
What are the key properties of N-(4-bromophenyl)-1,2-oxazole-5-carboxamide?
N-(4-bromophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 267.08 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18587281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).