N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide

C11H9BrN2O2 — CID 61410075

IUPACN-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccno1
InChIInChI=1S/C11H9BrN2O2/c12-9-3-1-2-8(6-9)7-13-11(15)10-4-5-14-16-10/h1-6H,7H2,(H,13,15)
InChIKeyQYMBCFAQPUKIGT-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.37
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide

N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 61410075) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID61410075
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC NameN-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccno1
InChIInChI=1S/C11H9BrN2O2/c12-9-3-1-2-8(6-9)7-13-11(15)10-4-5-14-16-10/h1-6H,7H2,(H,13,15)
InChIKeyQYMBCFAQPUKIGT-UHFFFAOYSA-N
XLogP2.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61413770
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105381021
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917207
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
CID 114326336
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
1-[(3-bromophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898870

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide (CID 61410075) is N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1cccc(Br)c1)c1ccno1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is QYMBCFAQPUKIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-9-3-1-2-8(6-9)7-13-11(15)10-4-5-14-16-10/h1-6H,7H2,(H,13,15).
What are the key properties of N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide?
N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 61410075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).