N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline

C17H15ClN2O — CID 104854359

IUPACN-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCc1cc(Cl)ccc1CNc1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H15ClN2O/c1-12-8-15(18)5-2-14(12)9-20-16-6-3-13(4-7-16)17-10-19-11-21-17/h2-8,10-11,20H,9H2,1H3
InChIKeyBLMRQVBLFXHMFR-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.92
Rot. Bonds4

About N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline

N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 104854359) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID104854359
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCc1cc(Cl)ccc1CNc1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H15ClN2O/c1-12-8-15(18)5-2-14(12)9-20-16-6-3-13(4-7-16)17-10-19-11-21-17/h2-8,10-11,20H,9H2,1H3
InChIKeyBLMRQVBLFXHMFR-UHFFFAOYSA-N
XLogP4.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline 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-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 63646400
N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942944
N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943832
N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine
CID 114217558
5-[4-(4-chlorophenyl)phenyl]-1,3-oxazole
CID 21408358
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62346531
2-[4-[(4-chloro-2-methylphenyl)methylamino]phenyl]acetonitrile
CID 104854012
N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 55113462
N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline
CID 173348993
N-[1-(4-chlorophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943069
4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060081

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline (CID 104854359) is N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline is Cc1cc(Cl)ccc1CNc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is BLMRQVBLFXHMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-8-15(18)5-2-14(12)9-20-16-6-3-13(4-7-16)17-10-19-11-21-17/h2-8,10-11,20H,9H2,1H3.
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 298.77 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 104854359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).