(3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate

C23H16N2O4S — CID 23773584

IUPAC(3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate
SMILESO=C(OCCC(=O)N1c2ccccc2Sc2ccccc21)c1cccc2ocnc12
InChIInChI=1S/C23H16N2O4S/c26-21(12-13-28-23(27)15-6-5-9-18-22(15)24-14-29-18)25-16-7-1-3-10-19(16)30-20-11-4-2-8-17(20)25/h1-11,14H,12-13H2
InChIKeyMWMNANQPZDFQEP-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.20
Rot. Bonds4

About (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate

(3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate (PubChem CID 23773584) has the molecular formula C23H16N2O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate.

Molecular Properties

Compound Name(3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate
PubChem CID23773584
Molecular FormulaC23H16N2O4S
Molecular Weight416.46 g/mol
Exact Mass416.08
IUPAC Name(3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate
SMILESO=C(OCCC(=O)N1c2ccccc2Sc2ccccc21)c1cccc2ocnc12
InChIInChI=1S/C23H16N2O4S/c26-21(12-13-28-23(27)15-6-5-9-18-22(15)24-14-29-18)25-16-7-1-3-10-19(16)30-20-11-4-2-8-17(20)25/h1-11,14H,12-13H2
InChIKeyMWMNANQPZDFQEP-UHFFFAOYSA-N
XLogP5.20
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1,3-benzoxazole-4-carboxylate
CID 131699993
(3-oxo-3-phenothiazin-10-ylpropyl) 3H-benzimidazole-5-carboxylate
CID 23999443
(2-oxo-2-phenothiazin-10-ylethyl) naphthalene-1-carboxylate
CID 3438977
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23887831
(2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate
CID 8607701
3-bromo-1-phenothiazin-10-ylpropan-1-one
CID 3487991
(2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate
CID 2586236
[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23971636
2-(2-oxo-2-phenothiazin-10-ylethoxy)benzoic acid
CID 23740235
(2-oxo-2-phenothiazin-10-ylethyl) 2-(4-chlorobenzoyl)benzoate
CID 23905777
(2-oxo-2-phenothiazin-10-ylethyl) 3-hydroxynaphthalene-2-carboxylate
CID 2351221
(1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate
CID 23803142

Frequently Asked Questions

What is the IUPAC name of (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate?
The IUPAC name of (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate (CID 23773584) is (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate.
What is the SMILES notation for (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate?
The canonical SMILES for (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate is O=C(OCCC(=O)N1c2ccccc2Sc2ccccc21)c1cccc2ocnc12.
What is the InChIKey of (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate?
The InChIKey is MWMNANQPZDFQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4S/c26-21(12-13-28-23(27)15-6-5-9-18-22(15)24-14-29-18)25-16-7-1-3-10-19(16)30-20-11-4-2-8-17(20)25/h1-11,14H,12-13H2.
What are the key properties of (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate?
(3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate has a molecular weight of 416.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate is sourced from PubChem (CID 23773584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).