N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C25H23N3O5S — CID 24584059

IUPACN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C25H23N3O5S/c29-25(19-10-11-22-21(16-19)24(33-27-22)18-6-2-1-3-7-18)26-17-20-8-4-5-9-23(20)34(30,31)28-12-14-32-15-13-28/h1-11,16H,12-15,17H2,(H,26,29)
InChIKeyVJYIZPWEINZOCU-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.45
Rot. Bonds6

About N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 24584059) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID24584059
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC NameN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C25H23N3O5S/c29-25(19-10-11-22-21(16-19)24(33-27-22)18-6-2-1-3-7-18)26-17-20-8-4-5-9-23(20)34(30,31)28-12-14-32-15-13-28/h1-11,16H,12-15,17H2,(H,26,29)
InChIKeyVJYIZPWEINZOCU-UHFFFAOYSA-N
XLogP3.45
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide 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

N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24541807
2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 33308662
6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
3-(cyclopropylsulfamoyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 24680805
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582298
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 17442191
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122246090
N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 86796098
2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582303
4-bromo-3-morpholin-4-ylsulfonyl-N-[(2-nitrophenyl)methyl]benzamide
CID 55798882
2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24680820

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 24584059) is N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is VJYIZPWEINZOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c29-25(19-10-11-22-21(16-19)24(33-27-22)18-6-2-1-3-7-18)26-17-20-8-4-5-9-23(20)34(30,31)28-12-14-32-15-13-28/h1-11,16H,12-15,17H2,(H,26,29).
What are the key properties of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 24584059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).