2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine

C15H15N3O — CID 79893294

IUPAC2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine
SMILESCc1cccc(N(C)c2nc3ccc(N)cc3o2)c1
InChIInChI=1S/C15H15N3O/c1-10-4-3-5-12(8-10)18(2)15-17-13-7-6-11(16)9-14(13)19-15/h3-9H,16H2,1-2H3
InChIKeyUFHWOGDVPXLSLZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.49
Rot. Bonds2

About 2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine

2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine (PubChem CID 79893294) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine
PubChem CID79893294
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine
SMILESCc1cccc(N(C)c2nc3ccc(N)cc3o2)c1
InChIInChI=1S/C15H15N3O/c1-10-4-3-5-12(8-10)18(2)15-17-13-7-6-11(16)9-14(13)19-15/h3-9H,16H2,1-2H3
InChIKeyUFHWOGDVPXLSLZ-UHFFFAOYSA-N
XLogP3.49
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.49
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

3-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]benzonitrile
CID 79893304
2-N-methyl-2-N-phenyl-1,3-benzoxazole-2,5-diamine
CID 79885344
2-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-diamine
CID 62002618
1-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]propan-2-ol
CID 79892783
2-N-methyl-2-N-(3-phenylpropyl)-1,3-benzoxazole-2,6-diamine
CID 79882308
3-[1,3-benzoxazol-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979454
2-(N-methylanilino)-1,3-benzoxazole-6-carboxylic acid
CID 116690397
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1,3-benzoxazole-2,6-diamine
CID 79893060
2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3-benzoxazole-2,6-diamine
CID 79892602
4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine
CID 65336690
2-N-(cyclobutylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79893302
2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,6-diamine
CID 79892463

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine (CID 79893294) is 2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine is Cc1cccc(N(C)c2nc3ccc(N)cc3o2)c1.
What is the InChIKey of 2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine?
The InChIKey is UFHWOGDVPXLSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-4-3-5-12(8-10)18(2)15-17-13-7-6-11(16)9-14(13)19-15/h3-9H,16H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine?
2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine has a molecular weight of 253.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine is sourced from PubChem (CID 79893294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).