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

C16H19BrN2O2 — CID 133150041

IUPAC3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCc1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C16H19BrN2O2/c1-3-11(2)19-15(20)7-8-16-18-10-14(21-16)12-5-4-6-13(17)9-12/h4-6,9-11H,3,7-8H2,1-2H3,(H,19,20)
InChIKeyFCDJJMFNSALWCZ-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.95
Rot. Bonds6

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

3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide (PubChem CID 133150041) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide
PubChem CID133150041
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCc1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C16H19BrN2O2/c1-3-11(2)19-15(20)7-8-16-18-10-14(21-16)12-5-4-6-13(17)9-12/h4-6,9-11H,3,7-8H2,1-2H3,(H,19,20)
InChIKeyFCDJJMFNSALWCZ-UHFFFAOYSA-N
XLogP3.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)propanamide
CID 133245082
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-(1-hydroxypropan-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 78856641
N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55576627
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51934580
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657
2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 100830551
N-(2,4-dibromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16591578
(2R)-4-methyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119364024
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
CID 133159870
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide (CID 133150041) is 3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCc1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide?
The InChIKey is FCDJJMFNSALWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-3-11(2)19-15(20)7-8-16-18-10-14(21-16)12-5-4-6-13(17)9-12/h4-6,9-11H,3,7-8H2,1-2H3,(H,19,20).
What are the key properties of 3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide?
3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide has a molecular weight of 351.24 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide is sourced from PubChem (CID 133150041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).