3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide

C15H15ClN4O3S2 — CID 143767285

IUPAC3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2scc(S(C)=O)c2Cl)cn1
InChIInChI=1S/C15H15ClN4O3S2/c1-8-11(9(2)23-19-8)6-20-5-10(4-17-20)18-15(21)14-13(16)12(7-24-14)25(3)22/h4-5,7H,6H2,1-3H3,(H,18,21)
InChIKeyXSZRCHFWCPKWOU-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.24
Rot. Bonds5

About 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide

3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide (PubChem CID 143767285) has the molecular formula C15H15ClN4O3S2 and a molecular weight of 398.90 g/mol. Its IUPAC name is 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide
PubChem CID143767285
Molecular FormulaC15H15ClN4O3S2
Molecular Weight398.90 g/mol
Exact Mass398.03
IUPAC Name3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2scc(S(C)=O)c2Cl)cn1
InChIInChI=1S/C15H15ClN4O3S2/c1-8-11(9(2)23-19-8)6-20-5-10(4-17-20)18-15(21)14-13(16)12(7-24-14)25(3)22/h4-5,7H,6H2,1-3H3,(H,18,21)
InChIKeyXSZRCHFWCPKWOU-UHFFFAOYSA-N
XLogP3.24
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 58409595
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 155567505
1-(2-chloroethyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
CID 57422492
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylsulfanylthiophene-2-carboxamide
CID 3760889
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 57422291
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-sulfanylidene-1,3-thiazolidine-4-carboxamide
CID 4645676
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dimethyl-3,4-dihydropyrazole-3-carboxamide
CID 70646299
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
CID 57422281
N-(1-benzylpyrazol-4-yl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443682
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443754
N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488566
4-[(4-chlorophenoxy)methyl]-N-(1-ethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443858

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide (CID 143767285) is 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide is Cc1noc(C)c1Cn1cc(NC(=O)c2scc(S(C)=O)c2Cl)cn1.
What is the InChIKey of 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide?
The InChIKey is XSZRCHFWCPKWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S2/c1-8-11(9(2)23-19-8)6-20-5-10(4-17-20)18-15(21)14-13(16)12(7-24-14)25(3)22/h4-5,7H,6H2,1-3H3,(H,18,21).
What are the key properties of 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide?
3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide has a molecular weight of 398.90 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfinylthiophene-2-carboxamide is sourced from PubChem (CID 143767285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).