3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide

C16H18N4O3S — CID 4776140

IUPAC3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(Cn2cc(NS(=O)(=O)c3c(C)noc3C)cn2)cc1
InChIInChI=1S/C16H18N4O3S/c1-11-4-6-14(7-5-11)9-20-10-15(8-17-20)19-24(21,22)16-12(2)18-23-13(16)3/h4-8,10,19H,9H2,1-3H3
InChIKeyVPVIRRRZFJSBEP-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.65
Rot. Bonds5

About 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 4776140) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide
PubChem CID4776140
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(Cn2cc(NS(=O)(=O)c3c(C)noc3C)cn2)cc1
InChIInChI=1S/C16H18N4O3S/c1-11-4-6-14(7-5-11)9-20-10-15(8-17-20)19-24(21,22)16-12(2)18-23-13(16)3/h4-8,10,19H,9H2,1-3H3
InChIKeyVPVIRRRZFJSBEP-UHFFFAOYSA-N
XLogP2.65
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61018522
1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
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3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
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N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
3,5-dimethyl-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 53000362
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 110727384
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
CID 22201754
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 113229970

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide (CID 4776140) is 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide is Cc1ccc(Cn2cc(NS(=O)(=O)c3c(C)noc3C)cn2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is VPVIRRRZFJSBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11-4-6-14(7-5-11)9-20-10-15(8-17-20)19-24(21,22)16-12(2)18-23-13(16)3/h4-8,10,19H,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 4776140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).