N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

C13H14ClFN2O — CID 104939308

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2cc(F)cc(Cl)c2)o1
InChIInChI=1S/C13H14ClFN2O/c1-8-6-17-13(18-8)9(2)16-7-10-3-11(14)5-12(15)4-10/h3-6,9,16H,7H2,1-2H3
InChIKeyOQCXNXRYZYMBEH-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.63
Rot. Bonds4

About N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (PubChem CID 104939308) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
PubChem CID104939308
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2cc(F)cc(Cl)c2)o1
InChIInChI=1S/C13H14ClFN2O/c1-8-6-17-13(18-8)9(2)16-7-10-3-11(14)5-12(15)4-10/h3-6,9,16H,7H2,1-2H3
InChIKeyOQCXNXRYZYMBEH-UHFFFAOYSA-N
XLogP3.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine 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-[(3-bromo-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893585
3-fluoro-5-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 104881394
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428
1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 113347391
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893749
N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113347390
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 113365416
1-(5-methyl-1,3-oxazol-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103893542
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104928554
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (CID 104939308) is N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2cc(F)cc(Cl)c2)o1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is OQCXNXRYZYMBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-8-6-17-13(18-8)9(2)16-7-10-3-11(14)5-12(15)4-10/h3-6,9,16H,7H2,1-2H3.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 268.72 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 104939308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).