2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine

C15H15N3O — CID 735993

IUPAC2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine
SMILESCN(C)c1ccc(-c2nc3cc(N)ccc3o2)cc1
InChIInChI=1S/C15H15N3O/c1-18(2)12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,16H2,1-2H3
InChIKeyTZIJEHNHNLJSSH-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.14
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine

2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine (PubChem CID 735993) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine
PubChem CID735993
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine
SMILESCN(C)c1ccc(-c2nc3cc(N)ccc3o2)cc1
InChIInChI=1S/C15H15N3O/c1-18(2)12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,16H2,1-2H3
InChIKeyTZIJEHNHNLJSSH-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine (CID 735993) is 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine is CN(C)c1ccc(-c2nc3cc(N)ccc3o2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine?
The InChIKey is TZIJEHNHNLJSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(2)12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,16H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine?
2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine has a molecular weight of 253.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 735993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).