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

C21H21BrN2O2 — CID 133159870

IUPAC2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C21H21BrN2O2/c1-3-7-14(2)24-20(25)17-10-4-5-11-18(17)21-23-13-19(26-21)15-8-6-9-16(22)12-15/h4-6,8-14H,3,7H2,1-2H3,(H,24,25)
InChIKeyLMKUHYHQFBGXRU-UHFFFAOYSA-N
MW413.32 g/mol
LogP5.69
Rot. Bonds6

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

2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide (PubChem CID 133159870) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
PubChem CID133159870
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C21H21BrN2O2/c1-3-7-14(2)24-20(25)17-10-4-5-11-18(17)21-23-13-19(26-21)15-8-6-9-16(22)12-15/h4-6,8-14H,3,7H2,1-2H3,(H,24,25)
InChIKeyLMKUHYHQFBGXRU-UHFFFAOYSA-N
XLogP5.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100510062
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133159873
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide
CID 100501417
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100501410
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
CID 100508690
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056
N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 133150062
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100510298
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100510592
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133150117

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide?
The IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide (CID 133159870) is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide?
The canonical SMILES for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide?
The InChIKey is LMKUHYHQFBGXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c1-3-7-14(2)24-20(25)17-10-4-5-11-18(17)21-23-13-19(26-21)15-8-6-9-16(22)12-15/h4-6,8-14H,3,7H2,1-2H3,(H,24,25).
What are the key properties of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide?
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide has a molecular weight of 413.32 g/mol, XLogP of 5.69, 6 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-pentan-2-ylbenzamide is sourced from PubChem (CID 133159870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).