(3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone

C15H12N2O2 — CID 116917263

IUPAC(3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
SMILESCc1nc2cc(C(=O)c3cccc(N)c3)ccc2o1
InChIInChI=1S/C15H12N2O2/c1-9-17-13-8-11(5-6-14(13)19-9)15(18)10-3-2-4-12(16)7-10/h2-8H,16H2,1H3
InChIKeyMUAGTUMOOGQBHA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.95
Rot. Bonds2

About (3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone

(3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone (PubChem CID 116917263) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
PubChem CID116917263
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
SMILESCc1nc2cc(C(=O)c3cccc(N)c3)ccc2o1
InChIInChI=1S/C15H12N2O2/c1-9-17-13-8-11(5-6-14(13)19-9)15(18)10-3-2-4-12(16)7-10/h2-8H,16H2,1H3
InChIKeyMUAGTUMOOGQBHA-UHFFFAOYSA-N
XLogP2.95
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.95
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

2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone
CID 176526172
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510
1-(2-methyl-1,3-benzoxazol-5-yl)-2-methylsulfanylethanone
CID 116830140
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
(3-aminophenyl)-phenylmethanone
CID 17817
3-hydroxypropyl 2-methyl-1,3-benzoxazole-5-carboxylate
CID 116863070
N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 110387916

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The IUPAC name of (3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone (CID 116917263) is (3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone is Cc1nc2cc(C(=O)c3cccc(N)c3)ccc2o1.
What is the InChIKey of (3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone?
The InChIKey is MUAGTUMOOGQBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-17-13-8-11(5-6-14(13)19-9)15(18)10-3-2-4-12(16)7-10/h2-8H,16H2,1H3.
What are the key properties of (3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone?
(3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone has a molecular weight of 252.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone is sourced from PubChem (CID 116917263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).