4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine

C15H14N2O — CID 82231793

IUPAC4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine
SMILESCc1c(N)cc(C)c2oc(-c3ccccc3)nc12
InChIInChI=1S/C15H14N2O/c1-9-8-12(16)10(2)13-14(9)18-15(17-13)11-6-4-3-5-7-11/h3-8H,16H2,1-2H3
InChIKeyZIGDVWCPVFEBOK-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.69
Rot. Bonds1

About 4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine

4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine (PubChem CID 82231793) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine
PubChem CID82231793
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine
SMILESCc1c(N)cc(C)c2oc(-c3ccccc3)nc12
InChIInChI=1S/C15H14N2O/c1-9-8-12(16)10(2)13-14(9)18-15(17-13)11-6-4-3-5-7-11/h3-8H,16H2,1-2H3
InChIKeyZIGDVWCPVFEBOK-UHFFFAOYSA-N
XLogP3.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine
CID 82232746
7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
CID 94979363
7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole
CID 82234163
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 134923956
4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole
CID 163632646
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
6-methoxy-4-methyl-2-phenyl-1,3-benzoxazole
CID 135041622
5,7-dimethyl-2-[4-[(E)-2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
CID 6441624
3-(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
CID 28690975
2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 102706038
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
CID 115049958

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine?
The IUPAC name of 4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine (CID 82231793) is 4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine is Cc1c(N)cc(C)c2oc(-c3ccccc3)nc12.
What is the InChIKey of 4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine?
The InChIKey is ZIGDVWCPVFEBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-9-8-12(16)10(2)13-14(9)18-15(17-13)11-6-4-3-5-7-11/h3-8H,16H2,1-2H3.
What are the key properties of 4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine?
4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82231793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).