3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline

C16H14N2O — CID 20971452

IUPAC3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline
SMILESCc1ccc(-c2coc(-c3cccc(N)c3)n2)cc1
InChIInChI=1S/C16H14N2O/c1-11-5-7-12(8-6-11)15-10-19-16(18-15)13-3-2-4-14(17)9-13/h2-10H,17H2,1H3
InChIKeyDGHDGLHKZPDPNM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.90
Rot. Bonds2

About 3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline

3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline (PubChem CID 20971452) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline
PubChem CID20971452
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline
SMILESCc1ccc(-c2coc(-c3cccc(N)c3)n2)cc1
InChIInChI=1S/C16H14N2O/c1-11-5-7-12(8-6-11)15-10-19-16(18-15)13-3-2-4-14(17)9-13/h2-10H,17H2,1H3
InChIKeyDGHDGLHKZPDPNM-UHFFFAOYSA-N
XLogP3.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline?
The IUPAC name of 3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline (CID 20971452) is 3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline.
What is the SMILES notation for 3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline?
The canonical SMILES for 3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline is Cc1ccc(-c2coc(-c3cccc(N)c3)n2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline?
The InChIKey is DGHDGLHKZPDPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-5-7-12(8-6-11)15-10-19-16(18-15)13-3-2-4-14(17)9-13/h2-10H,17H2,1H3.
What are the key properties of 3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline?
3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline has a molecular weight of 250.30 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline is sourced from PubChem (CID 20971452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).