2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole

C16H17ClN4O2 — CID 19552787

IUPAC2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2nnc(C(C)n3cc(Cl)c(C)n3)o2)cc1
InChIInChI=1S/C16H17ClN4O2/c1-10-14(17)9-21(20-10)11(2)16-19-18-15(23-16)8-12-4-6-13(22-3)7-5-12/h4-7,9,11H,8H2,1-3H3
InChIKeyYQQHEWTWWCKQOO-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.44
Rot. Bonds5

About 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole

2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole (PubChem CID 19552787) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
PubChem CID19552787
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2nnc(C(C)n3cc(Cl)c(C)n3)o2)cc1
InChIInChI=1S/C16H17ClN4O2/c1-10-14(17)9-21(20-10)11(2)16-19-18-15(23-16)8-12-4-6-13(22-3)7-5-12/h4-7,9,11H,8H2,1-3H3
InChIKeyYQQHEWTWWCKQOO-UHFFFAOYSA-N
XLogP3.44
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19552625
2-[1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 19552624
2-(4-methoxyphenyl)-5-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9130894
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
propan-2-yl 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 102603006
(2R)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484324
2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153717
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19550804
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 99962961
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 9484318
N-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62138306
S-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl] 2-(4-chlorophenyl)ethanethioate
CID 126395022

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole (CID 19552787) is 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole is COc1ccc(Cc2nnc(C(C)n3cc(Cl)c(C)n3)o2)cc1.
What is the InChIKey of 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is YQQHEWTWWCKQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-10-14(17)9-21(20-10)11(2)16-19-18-15(23-16)8-12-4-6-13(22-3)7-5-12/h4-7,9,11H,8H2,1-3H3.
What are the key properties of 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 332.79 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).