N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

C15H20N4O4S — CID 136513375

IUPACN-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H20N4O4S/c1-10-13(17-15(23-10)11-8-16-19(2)9-11)14(20)18-24(21,22)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,18,20)
InChIKeyRURHWQKMXGGTEU-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.78
Rot. Bonds4

About N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 136513375) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID136513375
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H20N4O4S/c1-10-13(17-15(23-10)11-8-16-19(2)9-11)14(20)18-24(21,22)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,18,20)
InChIKeyRURHWQKMXGGTEU-UHFFFAOYSA-N
XLogP1.78
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 136513375) is N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is RURHWQKMXGGTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-10-13(17-15(23-10)11-8-16-19(2)9-11)14(20)18-24(21,22)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfonyl-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 136513375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).