2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole

C14H12BrClN4O — CID 19550536

IUPAC2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(Cc2nnc(CCn3cc(Br)cn3)o2)cc1
InChIInChI=1S/C14H12BrClN4O/c15-11-8-17-20(9-11)6-5-13-18-19-14(21-13)7-10-1-3-12(16)4-2-10/h1-4,8-9H,5-7H2
InChIKeyFCLSEAAZSDWOCF-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.52
Rot. Bonds5

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

2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 19550536) has the molecular formula C14H12BrClN4O and a molecular weight of 367.63 g/mol. Its IUPAC name is 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID19550536
Molecular FormulaC14H12BrClN4O
Molecular Weight367.63 g/mol
Exact Mass365.99
IUPAC Name2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(Cc2nnc(CCn3cc(Br)cn3)o2)cc1
InChIInChI=1S/C14H12BrClN4O/c15-11-8-17-20(9-11)6-5-13-18-19-14(21-13)7-10-1-3-12(16)4-2-10/h1-4,8-9H,5-7H2
InChIKeyFCLSEAAZSDWOCF-UHFFFAOYSA-N
XLogP3.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 82306710
2-[(4-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole
CID 19585229
2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19540600
5-[(4-chlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 75517192
5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine
CID 164645104
1-[2-(4-chlorophenyl)ethyl]pyrazol-4-amine
CID 83536334
4-bromo-1-(3-chloropropyl)pyrazole
CID 61036423
2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole
CID 80610694
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
CID 19295830
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 3574616
5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide
CID 5308560
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 99962961

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole (CID 19550536) is 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole is Clc1ccc(Cc2nnc(CCn3cc(Br)cn3)o2)cc1.
What is the InChIKey of 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is FCLSEAAZSDWOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4O/c15-11-8-17-20(9-11)6-5-13-18-19-14(21-13)7-10-1-3-12(16)4-2-10/h1-4,8-9H,5-7H2.
What are the key properties of 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole?
2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 367.63 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19550536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).