2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine

C15H16N4O — CID 115376175

IUPAC2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine
SMILESCN(C)c1cccc(Nc2nc3cc(N)ccc3o2)c1
InChIInChI=1S/C15H16N4O/c1-19(2)12-5-3-4-11(9-12)17-15-18-13-8-10(16)6-7-14(13)20-15/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyOZXBRHXQWWYSBL-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.22
Rot. Bonds3

About 2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine

2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine (PubChem CID 115376175) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine
PubChem CID115376175
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine
SMILESCN(C)c1cccc(Nc2nc3cc(N)ccc3o2)c1
InChIInChI=1S/C15H16N4O/c1-19(2)12-5-3-4-11(9-12)17-15-18-13-8-10(16)6-7-14(13)20-15/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyOZXBRHXQWWYSBL-UHFFFAOYSA-N
XLogP3.22
TPSA67.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-ethylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884819
2-N-(3-methoxyphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884918
2-N-(3-fluoro-4-methylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884466
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
2-N-(2,3-dimethylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79885014
2-N-(4-methoxy-3-methylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79890647
2-N-(4-chloro-3-fluorophenyl)-1,3-benzoxazole-2,5-diamine
CID 79890419
2-N-(3-bromo-4-methoxyphenyl)-1,3-benzoxazole-2,5-diamine
CID 79890068
2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine
CID 115376072
2-N-(2-chloro-6-methylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79890897
2-N-methyl-2-N-phenyl-1,3-benzoxazole-2,5-diamine
CID 79885344
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine (CID 115376175) is 2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine is CN(C)c1cccc(Nc2nc3cc(N)ccc3o2)c1.
What is the InChIKey of 2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine?
The InChIKey is OZXBRHXQWWYSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19(2)12-5-3-4-11(9-12)17-15-18-13-8-10(16)6-7-14(13)20-15/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine?
2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine has a molecular weight of 268.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine is sourced from PubChem (CID 115376175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).