3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide

C11H8BrClN2O2 — CID 103842110

IUPAC3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccon1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H8BrClN2O2/c12-9-5-7(1-2-10(9)13)11(16)14-6-8-3-4-17-15-8/h1-5H,6H2,(H,14,16)
InChIKeyJZRLUBVZEJQIDN-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.02
Rot. Bonds3

About 3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide

3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide (PubChem CID 103842110) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
PubChem CID103842110
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Name3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccon1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H8BrClN2O2/c12-9-5-7(1-2-10(9)13)11(16)14-6-8-3-4-17-15-8/h1-5H,6H2,(H,14,16)
InChIKeyJZRLUBVZEJQIDN-UHFFFAOYSA-N
XLogP3.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79492078
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 104629295
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 81170534
4-fluoro-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79487393
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107998188
3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385065
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
N-(1,2-oxazol-3-ylmethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103721386
5-bromo-2-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721244

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide (CID 103842110) is 3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide is O=C(NCc1ccon1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The InChIKey is JZRLUBVZEJQIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c12-9-5-7(1-2-10(9)13)11(16)14-6-8-3-4-17-15-8/h1-5H,6H2,(H,14,16).
What are the key properties of 3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide?
3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide has a molecular weight of 315.55 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide is sourced from PubChem (CID 103842110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).