5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide

C15H15BrN2O3 — CID 110429046

IUPAC5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide
SMILESCc1cc(NC(=O)CCCC(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C15H15BrN2O3/c1-10-9-14(18-21-10)17-15(20)4-2-3-13(19)11-5-7-12(16)8-6-11/h5-9H,2-4H2,1H3,(H,17,18,20)
InChIKeyCSDNRVKFFMYDKG-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.74
Rot. Bonds6

About 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide

5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide (PubChem CID 110429046) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide
PubChem CID110429046
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide
SMILESCc1cc(NC(=O)CCCC(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C15H15BrN2O3/c1-10-9-14(18-21-10)17-15(20)4-2-3-13(19)11-5-7-12(16)8-6-11/h5-9H,2-4H2,1H3,(H,17,18,20)
InChIKeyCSDNRVKFFMYDKG-UHFFFAOYSA-N
XLogP3.74
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide
CID 110619325
N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 645214
N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 110423647
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 2777055
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9263205
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108908828
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153701
(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515
6-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109163837
N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 37034630

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide (CID 110429046) is 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide is Cc1cc(NC(=O)CCCC(=O)c2ccc(Br)cc2)no1.
What is the InChIKey of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide?
The InChIKey is CSDNRVKFFMYDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10-9-14(18-21-10)17-15(20)4-2-3-13(19)11-5-7-12(16)8-6-11/h5-9H,2-4H2,1H3,(H,17,18,20).
What are the key properties of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide?
5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide has a molecular weight of 351.20 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide is sourced from PubChem (CID 110429046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).