N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H25N5O4S — CID 86934831

IUPACN-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1
InChIInChI=1S/C20H25N5O4S/c1-12-18(13(2)25(23-12)20(4,5)6)30(27,28)24-16-9-7-15(8-10-16)22-19(26)17-11-21-29-14(17)3/h7-11,24H,1-6H3,(H,22,26)
InChIKeyYQVVIQQAYRFGQB-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.60
Rot. Bonds5

About N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 86934831) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID86934831
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC NameN-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1
InChIInChI=1S/C20H25N5O4S/c1-12-18(13(2)25(23-12)20(4,5)6)30(27,28)24-16-9-7-15(8-10-16)22-19(26)17-11-21-29-14(17)3/h7-11,24H,1-6H3,(H,22,26)
InChIKeyYQVVIQQAYRFGQB-UHFFFAOYSA-N
XLogP3.60
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
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5-methyl-N-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 86934831) is N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1.
What is the InChIKey of N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YQVVIQQAYRFGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-12-18(13(2)25(23-12)20(4,5)6)30(27,28)24-16-9-7-15(8-10-16)22-19(26)17-11-21-29-14(17)3/h7-11,24H,1-6H3,(H,22,26).
What are the key properties of N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 86934831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).