4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine

C16H21BrN2O — CID 82987497

IUPAC4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine
SMILESCCCC(CCC)c1onc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O/c1-3-6-11(7-4-2)15-14(16(18)19-20-15)12-8-5-9-13(17)10-12/h5,8-11H,3-4,6-7H2,1-2H3,(H2,18,19)
InChIKeyKXOZKBMBZLSSPF-UHFFFAOYSA-N
MW337.26 g/mol
LogP5.37
Rot. Bonds6

About 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine

4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine (PubChem CID 82987497) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine
PubChem CID82987497
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine
SMILESCCCC(CCC)c1onc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O/c1-3-6-11(7-4-2)15-14(16(18)19-20-15)12-8-5-9-13(17)10-12/h5,8-11H,3-4,6-7H2,1-2H3,(H2,18,19)
InChIKeyKXOZKBMBZLSSPF-UHFFFAOYSA-N
XLogP5.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.26
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 82988157
4-(3-bromophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66199444
4-(3-chlorophenyl)-5-heptan-3-yl-1,2-oxazol-3-amine
CID 66200299
4-(3-methoxyphenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66200696
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160504
4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine
CID 43560970
5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 82987307
4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199043
4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 43560872
5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine
CID 66200306
4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823944
4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine
CID 66200452

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine (CID 82987497) is 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine is CCCC(CCC)c1onc(N)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine?
The InChIKey is KXOZKBMBZLSSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-3-6-11(7-4-2)15-14(16(18)19-20-15)12-8-5-9-13(17)10-12/h5,8-11H,3-4,6-7H2,1-2H3,(H2,18,19).
What are the key properties of 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine?
4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine has a molecular weight of 337.26 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 82987497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).