5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

C17H13ClN4O2S — CID 19334537

IUPAC5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCc1cc(OCn2ccc(-c3nc(-c4cccs4)no3)n2)ccc1Cl
InChIInChI=1S/C17H13ClN4O2S/c1-11-9-12(4-5-13(11)18)23-10-22-7-6-14(20-22)17-19-16(21-24-17)15-3-2-8-25-15/h2-9H,10H2,1H3
InChIKeyNPBWXQBNQUDHOU-UHFFFAOYSA-N
MW372.84 g/mol
LogP4.66
Rot. Bonds5

About 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 19334537) has the molecular formula C17H13ClN4O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID19334537
Molecular FormulaC17H13ClN4O2S
Molecular Weight372.84 g/mol
Exact Mass372.04
IUPAC Name5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCc1cc(OCn2ccc(-c3nc(-c4cccs4)no3)n2)ccc1Cl
InChIInChI=1S/C17H13ClN4O2S/c1-11-9-12(4-5-13(11)18)23-10-22-7-6-14(20-22)17-19-16(21-24-17)15-3-2-8-25-15/h2-9H,10H2,1H3
InChIKeyNPBWXQBNQUDHOU-UHFFFAOYSA-N
XLogP4.66
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 92801393
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
5-[(2-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718906
5-[1-[(2,3-dichlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326371
1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole
CID 70375481
ethyl 2-[2-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19271412
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742
dimethyl 5-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19271311
5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332929
5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332783
5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9138008
2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 39043657

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 19334537) is 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is Cc1cc(OCn2ccc(-c3nc(-c4cccs4)no3)n2)ccc1Cl.
What is the InChIKey of 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is NPBWXQBNQUDHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2S/c1-11-9-12(4-5-13(11)18)23-10-22-7-6-14(20-22)17-19-16(21-24-17)15-3-2-8-25-15/h2-9H,10H2,1H3.
What are the key properties of 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 372.84 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19334537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).