2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide

C19H15BrN2O2 — CID 100510592

IUPAC2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C19H15BrN2O2/c20-13-5-3-4-12(10-13)17-11-21-19(24-17)16-7-2-1-6-15(16)18(23)22-14-8-9-14/h1-7,10-11,14H,8-9H2,(H,22,23)
InChIKeyGVVJZOSJCZOLEI-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.66
Rot. Bonds4

About 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide

2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide (PubChem CID 100510592) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
PubChem CID100510592
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C19H15BrN2O2/c20-13-5-3-4-12(10-13)17-11-21-19(24-17)16-7-2-1-6-15(16)18(23)22-14-8-9-14/h1-7,10-11,14H,8-9H2,(H,22,23)
InChIKeyGVVJZOSJCZOLEI-UHFFFAOYSA-N
XLogP4.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100512478
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide
CID 100510992
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
CID 133159870
N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 119476886
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133159873
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100510696
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 100510766
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100509056
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-fluorophenyl)benzamide
CID 100509139
5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
CID 71824533
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide?
The IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide (CID 100510592) is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide?
The InChIKey is GVVJZOSJCZOLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c20-13-5-3-4-12(10-13)17-11-21-19(24-17)16-7-2-1-6-15(16)18(23)22-14-8-9-14/h1-7,10-11,14H,8-9H2,(H,22,23).
What are the key properties of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide?
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide has a molecular weight of 383.25 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 100510592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).