4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine

C15H15N3O — CID 115126233

IUPAC4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine
SMILESCc1ccc(N)c(Nc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C15H15N3O/c1-9-3-5-12(16)14(7-9)18-11-4-6-13-15(8-11)19-10(2)17-13/h3-8,18H,16H2,1-2H3
InChIKeyQKJJTMUGFCKKSU-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.77
Rot. Bonds2

About 4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine

4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine (PubChem CID 115126233) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine
PubChem CID115126233
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine
SMILESCc1ccc(N)c(Nc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C15H15N3O/c1-9-3-5-12(16)14(7-9)18-11-4-6-13-15(8-11)19-10(2)17-13/h3-8,18H,16H2,1-2H3
InChIKeyQKJJTMUGFCKKSU-UHFFFAOYSA-N
XLogP3.77
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-N-(2-methyl-1,3-benzoxazol-5-yl)benzene-1,2-diamine
CID 115124073
4,5-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)benzene-1,2-diamine
CID 115126647
2-N-(4-aminophenyl)-4-methylbenzene-1,2-diamine;dihydrochloride
CID 70626485
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505
2-fluoro-4-N-(2-methyl-1,3-benzoxazol-5-yl)benzene-1,4-diamine
CID 115123777
4-bromo-1-N-(2-methyl-1,3-benzoxazol-5-yl)benzene-1,2-diamine
CID 115125331
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729056
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine (CID 115126233) is 4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine is Cc1ccc(N)c(Nc2ccc3nc(C)oc3c2)c1.
What is the InChIKey of 4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine?
The InChIKey is QKJJTMUGFCKKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-3-5-12(16)14(7-9)18-11-4-6-13-15(8-11)19-10(2)17-13/h3-8,18H,16H2,1-2H3.
What are the key properties of 4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine?
4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine has a molecular weight of 253.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine is sourced from PubChem (CID 115126233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).