3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole

C16H13ClN6O — CID 155948486

IUPAC3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCn1cncc1Cc1nc(-c2cnn(-c3cccc(Cl)c3)c2)no1
InChIInChI=1S/C16H13ClN6O/c1-22-10-18-8-14(22)6-15-20-16(21-24-15)11-7-19-23(9-11)13-4-2-3-12(17)5-13/h2-5,7-10H,6H2,1H3
InChIKeyQYRCFROQVAGIBG-UHFFFAOYSA-N
MW340.77 g/mol
LogP2.90
Rot. Bonds4

About 3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole

3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 155948486) has the molecular formula C16H13ClN6O and a molecular weight of 340.77 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID155948486
Molecular FormulaC16H13ClN6O
Molecular Weight340.77 g/mol
Exact Mass340.08
IUPAC Name3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCn1cncc1Cc1nc(-c2cnn(-c3cccc(Cl)c3)c2)no1
InChIInChI=1S/C16H13ClN6O/c1-22-10-18-8-14(22)6-15-20-16(21-24-15)11-7-19-23(9-11)13-4-2-3-12(17)5-13/h2-5,7-10H,6H2,1H3
InChIKeyQYRCFROQVAGIBG-UHFFFAOYSA-N
XLogP2.90
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
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CID 53157872
[1-(3-chlorophenyl)pyrazol-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55891170
1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 49031740
1-(3-chlorophenyl)-4-iodopyrazole
CID 171439876
[2-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 82895451
[1-(3-chlorophenyl)pyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 94582638
3-[5-[1-(3-chlorophenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-triazol-1-yl]pyridine
CID 167784526
3-(3-chlorophenyl)-5-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 139003136
3-(3-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]-1,2,4-oxadiazole
CID 110293621
3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62505666
3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole (CID 155948486) is 3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole is Cn1cncc1Cc1nc(-c2cnn(-c3cccc(Cl)c3)c2)no1.
What is the InChIKey of 3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is QYRCFROQVAGIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6O/c1-22-10-18-8-14(22)6-15-20-16(21-24-15)11-7-19-23(9-11)13-4-2-3-12(17)5-13/h2-5,7-10H,6H2,1H3.
What are the key properties of 3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole?
3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 340.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)pyrazol-4-yl]-5-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155948486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).