2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole

C18H12Cl2N4O — CID 86936661

IUPAC2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Cn3ccc(-c4ccccc4)n3)o2)c(Cl)c1
InChIInChI=1S/C18H12Cl2N4O/c19-13-6-7-14(15(20)10-13)18-22-21-17(25-18)11-24-9-8-16(23-24)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyUGHUATWCRWWXKB-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.96
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole

2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 86936661) has the molecular formula C18H12Cl2N4O and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID86936661
Molecular FormulaC18H12Cl2N4O
Molecular Weight371.23 g/mol
Exact Mass370.04
IUPAC Name2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Cn3ccc(-c4ccccc4)n3)o2)c(Cl)c1
InChIInChI=1S/C18H12Cl2N4O/c19-13-6-7-14(15(20)10-13)18-22-21-17(25-18)11-24-9-8-16(23-24)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyUGHUATWCRWWXKB-UHFFFAOYSA-N
XLogP4.96
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123204
2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 42979140
2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
CID 45029366
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 47523586
2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 86873821
2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 562598
2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole
CID 71579662
1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 47524949
2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole
CID 56658759
5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
CID 18870510
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 110652158
2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole
CID 31053397

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole (CID 86936661) is 2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc(Cn3ccc(-c4ccccc4)n3)o2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is UGHUATWCRWWXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O/c19-13-6-7-14(15(20)10-13)18-22-21-17(25-18)11-24-9-8-16(23-24)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 371.23 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 86936661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).