N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

C14H17BrN2O — CID 65183078

IUPACN-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H17BrN2O/c1-3-8-16-10(2)14-17-9-13(18-14)11-4-6-12(15)7-5-11/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyPHRWRXAGFDMNOL-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.16
Rot. Bonds5

About N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65183078) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65183078
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H17BrN2O/c1-3-8-16-10(2)14-17-9-13(18-14)11-4-6-12(15)7-5-11/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyPHRWRXAGFDMNOL-UHFFFAOYSA-N
XLogP4.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-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

N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181758
N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181959
N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183435
N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181303
N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183077
N-[1-[5-(3-propoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183384
N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182827
1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 114375998
1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65181498
N-[1-[5-(methoxymethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183024
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65181487
1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 106690342

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65183078) is N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is PHRWRXAGFDMNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-8-16-10(2)14-17-9-13(18-14)11-4-6-12(15)7-5-11/h4-7,9-10,16H,3,8H2,1-2H3.
What are the key properties of N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65183078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).