1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide

C13H16N2O5S — CID 154838414

IUPAC1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide
SMILESO=c1[nH]c2cc(NS(=O)(=O)CC3CCCCO3)ccc2o1
InChIInChI=1S/C13H16N2O5S/c16-13-14-11-7-9(4-5-12(11)20-13)15-21(17,18)8-10-3-1-2-6-19-10/h4-5,7,10,15H,1-3,6,8H2,(H,14,16)
InChIKeyYOVJNNHUEICBDY-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.43
Rot. Bonds4

About 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide

1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide (PubChem CID 154838414) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide
PubChem CID154838414
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide
SMILESO=c1[nH]c2cc(NS(=O)(=O)CC3CCCCO3)ccc2o1
InChIInChI=1S/C13H16N2O5S/c16-13-14-11-7-9(4-5-12(11)20-13)15-21(17,18)8-10-3-1-2-6-19-10/h4-5,7,10,15H,1-3,6,8H2,(H,14,16)
InChIKeyYOVJNNHUEICBDY-UHFFFAOYSA-N
XLogP1.43
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide 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

5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
2-bromo-5-(oxan-2-ylmethylsulfonylamino)benzoic acid
CID 136516784
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide
CID 54877723
N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 95339490
2-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110608202
5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 115237502
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one
CID 110607935
N-[3-(chloromethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65033474
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide
CID 37155913
5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
CID 93275329

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide?
The IUPAC name of 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide (CID 154838414) is 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide is O=c1[nH]c2cc(NS(=O)(=O)CC3CCCCO3)ccc2o1.
What is the InChIKey of 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide?
The InChIKey is YOVJNNHUEICBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c16-13-14-11-7-9(4-5-12(11)20-13)15-21(17,18)8-10-3-1-2-6-19-10/h4-5,7,10,15H,1-3,6,8H2,(H,14,16).
What are the key properties of 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide?
1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide has a molecular weight of 312.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide is sourced from PubChem (CID 154838414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).