N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide

C19H18N4O4S — CID 31534899

IUPACN,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C19H18N4O4S/c1-21(12-14-11-20-23(13-14)15-6-4-3-5-7-15)28(25,26)16-8-9-17-18(10-16)27-19(24)22(17)2/h3-11,13H,12H2,1-2H3
InChIKeyCGPGYQUIAOIEFD-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.14
Rot. Bonds5

About N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide

N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide (PubChem CID 31534899) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
PubChem CID31534899
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C19H18N4O4S/c1-21(12-14-11-20-23(13-14)15-6-4-3-5-7-15)28(25,26)16-8-9-17-18(10-16)27-19(24)22(17)2/h3-11,13H,12H2,1-2H3
InChIKeyCGPGYQUIAOIEFD-UHFFFAOYSA-N
XLogP2.14
TPSA90.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 25468393
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 110715789
N,2,3-trimethyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495371
4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide
CID 20937294
2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 19259934
2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26541420
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
CID 71847517
N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 39983419

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide (CID 31534899) is N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide is CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide?
The InChIKey is CGPGYQUIAOIEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-21(12-14-11-20-23(13-14)15-6-4-3-5-7-15)28(25,26)16-8-9-17-18(10-16)27-19(24)22(17)2/h3-11,13H,12H2,1-2H3.
What are the key properties of N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide?
N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide has a molecular weight of 398.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 31534899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).