N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide

C15H17BrN2O2 — CID 118864210

IUPACN-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(-c2cnco2)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-10(2)3-6-15(19)18-13-5-4-11(7-12(13)16)14-8-17-9-20-14/h4-5,7-10H,3,6H2,1-2H3,(H,18,19)
InChIKeySGEJPDAMHJBCDQ-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.48
Rot. Bonds5

About N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide

N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide (PubChem CID 118864210) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
PubChem CID118864210
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(-c2cnco2)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-10(2)3-6-15(19)18-13-5-4-11(7-12(13)16)14-8-17-9-20-14/h4-5,7-10H,3,6H2,1-2H3,(H,18,19)
InChIKeySGEJPDAMHJBCDQ-UHFFFAOYSA-N
XLogP4.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 82851895
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 55833342
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
CID 103909752
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
2-(2-chlorophenyl)-N-[2-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 90177371
N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline
CID 54865172
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046910
N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629196
(2S)-2-amino-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 61180352
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 62965913

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
The IUPAC name of N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide (CID 118864210) is N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(-c2cnco2)cc1Br.
What is the InChIKey of N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
The InChIKey is SGEJPDAMHJBCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(2)3-6-15(19)18-13-5-4-11(7-12(13)16)14-8-17-9-20-14/h4-5,7-10H,3,6H2,1-2H3,(H,18,19).
What are the key properties of N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide has a molecular weight of 337.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 118864210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).