2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine

C15H14N2O2 — CID 56687162

IUPAC2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
SMILESCOc1ccc(-c2nc3cc(C)cc(N)c3o2)cc1
InChIInChI=1S/C15H14N2O2/c1-9-7-12(16)14-13(8-9)17-15(19-14)10-3-5-11(18-2)6-4-10/h3-8H,16H2,1-2H3
InChIKeyKBSLNXWKJKCHNW-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.39
Rot. Bonds2

About 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine

2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine (PubChem CID 56687162) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
PubChem CID56687162
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
SMILESCOc1ccc(-c2nc3cc(C)cc(N)c3o2)cc1
InChIInChI=1S/C15H14N2O2/c1-9-7-12(16)14-13(8-9)17-15(19-14)10-3-5-11(18-2)6-4-10/h3-8H,16H2,1-2H3
InChIKeyKBSLNXWKJKCHNW-UHFFFAOYSA-N
XLogP3.39
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
CID 76851593
5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 82233017
4-(7-bromo-5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50849277
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461
2-(4-tert-butylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 71242093
5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbonitrile
CID 22144541
7-methyl-2-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-5-amine
CID 71677321
5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole
CID 95909923
2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 56772452
5,7-dimethyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole
CID 100817845
2-(4-bromophenyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82234229
5-bromo-2-(4-tert-butylphenyl)-1,3-benzoxazol-7-amine
CID 104728796

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine?
The IUPAC name of 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine (CID 56687162) is 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine is COc1ccc(-c2nc3cc(C)cc(N)c3o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine?
The InChIKey is KBSLNXWKJKCHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-7-12(16)14-13(8-9)17-15(19-14)10-3-5-11(18-2)6-4-10/h3-8H,16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine?
2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine has a molecular weight of 254.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine is sourced from PubChem (CID 56687162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).