3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine

C15H15N3O — CID 117041076

IUPAC3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)c2ccc3ncoc3c2)c1
InChIInChI=1S/C15H15N3O/c1-16-11-4-3-5-12(8-11)18(2)13-6-7-14-15(9-13)19-10-17-14/h3-10,16H,1-2H3
InChIKeyJCFAGWSSWQVNIV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.64
Rot. Bonds3

About 3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine

3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 117041076) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID117041076
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)c2ccc3ncoc3c2)c1
InChIInChI=1S/C15H15N3O/c1-16-11-4-3-5-12(8-11)18(2)13-6-7-14-15(9-13)19-10-17-14/h3-10,16H,1-2H3
InChIKeyJCFAGWSSWQVNIV-UHFFFAOYSA-N
XLogP3.64
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine
CID 117041534
3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028949
3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028936
1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 117041090
6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 117041083
methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate
CID 115232814
3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028941
ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate
CID 115128756
4-amino-3-[1,3-benzoxazol-6-yl(methyl)amino]benzonitrile
CID 115127257
3-[1,3-benzoxazol-6-yl(methyl)amino]-3-methylbutanoic acid
CID 117042368
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine (CID 117041076) is 3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine is CNc1cccc(N(C)c2ccc3ncoc3c2)c1.
What is the InChIKey of 3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is JCFAGWSSWQVNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-16-11-4-3-5-12(8-11)18(2)13-6-7-14-15(9-13)19-10-17-14/h3-10,16H,1-2H3.
What are the key properties of 3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine?
3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 253.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 117041076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).