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

C16H11BrN2O2 — CID 110409938

IUPACN-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cnoc1-c1ccccc1
InChIInChI=1S/C16H11BrN2O2/c17-13-8-4-5-9-14(13)19-16(20)12-10-18-21-15(12)11-6-2-1-3-7-11/h1-10H,(H,19,20)
InChIKeyYKPYHEORYLESPZ-UHFFFAOYSA-N
MW343.18 g/mol
LogP4.36
Rot. Bonds3

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

N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110409938) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110409938
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC NameN-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cnoc1-c1ccccc1
InChIInChI=1S/C16H11BrN2O2/c17-13-8-4-5-9-14(13)19-16(20)12-10-18-21-15(12)11-6-2-1-3-7-11/h1-10H,(H,19,20)
InChIKeyYKPYHEORYLESPZ-UHFFFAOYSA-N
XLogP4.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 110649553
N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110649994
5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110406819
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
2-bromo-N-(2-bromophenyl)furan-3-carboxamide
CID 106852264
(2-bromophenyl)carbamic acid
CID 15021878
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 134709378
N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745447
N-methyl-N,5-diphenyl-1,2-oxazole-4-carboxamide
CID 110649623

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide (CID 110409938) is N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide is O=C(Nc1ccccc1Br)c1cnoc1-c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is YKPYHEORYLESPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-13-8-4-5-9-14(13)19-16(20)12-10-18-21-15(12)11-6-2-1-3-7-11/h1-10H,(H,19,20).
What are the key properties of N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide?
N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110409938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).