N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C16H19N5O4S — CID 122356401

IUPACN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C16H19N5O4S/c1-9-14(10(2)18-15(17-9)20(3)4)19-26(23,24)11-6-7-13-12(8-11)21(5)16(22)25-13/h6-8,19H,1-5H3
InChIKeyOMUPVKSLGZLANO-UHFFFAOYSA-N
MW377.43 g/mol
LogP1.41
Rot. Bonds4

About N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 122356401) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID122356401
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C16H19N5O4S/c1-9-14(10(2)18-15(17-9)20(3)4)19-26(23,24)11-6-7-13-12(8-11)21(5)16(22)25-13/h6-8,19H,1-5H3
InChIKeyOMUPVKSLGZLANO-UHFFFAOYSA-N
XLogP1.41
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide 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-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122303528
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
N-[4-(diethylamino)-2-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025113
N-cyano-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025046
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 91968536
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356397
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760854
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 126853951
N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122302129
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 16761701
N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 170286220
methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonylamino]pyridine-4-carboxylate
CID 146025128

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 122356401) is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is OMUPVKSLGZLANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-9-14(10(2)18-15(17-9)20(3)4)19-26(23,24)11-6-7-13-12(8-11)21(5)16(22)25-13/h6-8,19H,1-5H3.
What are the key properties of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 377.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 122356401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).