N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

C13H15ClN2O — CID 65288509

IUPACN-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C13H15ClN2O/c1-3-15-7-11-8-17-13(16-11)10-5-4-9(2)12(14)6-10/h4-6,8,15H,3,7H2,1-2H3
InChIKeyYCIDDSVXPRGLFO-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.41
Rot. Bonds4

About N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 65288509) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID65288509
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C13H15ClN2O/c1-3-15-7-11-8-17-13(16-11)10-5-4-9(2)12(14)6-10/h4-6,8,15H,3,7H2,1-2H3
InChIKeyYCIDDSVXPRGLFO-UHFFFAOYSA-N
XLogP3.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81307525
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81307526
4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile
CID 65288463
N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288466
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
CID 110884956
N-[[2-(3,4,5-trifluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288222
N-[[2-(3-chloro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81324992
N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81487721
N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288410
N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81117236
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 81307864
N-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 56781262

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 65288509) is N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1coc(-c2ccc(C)c(Cl)c2)n1.
What is the InChIKey of N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is YCIDDSVXPRGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-15-7-11-8-17-13(16-11)10-5-4-9(2)12(14)6-10/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 250.73 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65288509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).