2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide

C24H24N6O4S — CID 52910808

IUPAC2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(C)cc4)no3)c2NC(C)=O)cc1
InChIInChI=1S/C24H24N6O4S/c1-14-5-7-16(8-6-14)21-27-23(34-29-21)20-22(25-15(2)31)30(28-24(20)35-4)13-19(32)26-17-9-11-18(33-3)12-10-17/h5-12H,13H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyOQOWKZGJWCGWLF-UHFFFAOYSA-N
MW492.56 g/mol
LogP4.24
Rot. Bonds8

About 2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide

2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 52910808) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is 2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID52910808
Molecular FormulaC24H24N6O4S
Molecular Weight492.56 g/mol
Exact Mass492.16
IUPAC Name2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(C)cc4)no3)c2NC(C)=O)cc1
InChIInChI=1S/C24H24N6O4S/c1-14-5-7-16(8-6-14)21-27-23(34-29-21)20-22(25-15(2)31)30(28-24(20)35-4)13-19(32)26-17-9-11-18(33-3)12-10-17/h5-12H,13H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyOQOWKZGJWCGWLF-UHFFFAOYSA-N
XLogP4.24
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 27536593
2-[5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 53209729
2-[5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 27536895
2-[5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-[(2S)-butan-2-yl]acetamide
CID 94117907
2-[5-amino-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 42585316
2-[5-amino-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 50760709
N-(4-methoxyphenyl)-2-[[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53128206
2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 50742983
2-[5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 50760831
2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50790440
2-[5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 50760962
N-(4-methoxyphenyl)-2-[5-methyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786791

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide (CID 52910808) is 2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(C)cc4)no3)c2NC(C)=O)cc1.
What is the InChIKey of 2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is OQOWKZGJWCGWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S/c1-14-5-7-16(8-6-14)21-27-23(34-29-21)20-22(25-15(2)31)30(28-24(20)35-4)13-19(32)26-17-9-11-18(33-3)12-10-17/h5-12H,13H2,1-4H3,(H,25,31)(H,26,32).
What are the key properties of 2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 492.56 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetamido-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 52910808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).