3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C16H18N4O3 — CID 8520617

IUPAC3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3cc(C(C)C)[nH]n3)n2)c1OC
InChIInChI=1S/C16H18N4O3/c1-9(2)11-8-12(19-18-11)16-17-15(20-23-16)10-6-5-7-13(21-3)14(10)22-4/h5-9H,1-4H3,(H,18,19)
InChIKeyHLZHXQVZGHUYGT-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.27
Rot. Bonds5

About 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 8520617) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID8520617
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3cc(C(C)C)[nH]n3)n2)c1OC
InChIInChI=1S/C16H18N4O3/c1-9(2)11-8-12(19-18-11)16-17-15(20-23-16)10-6-5-7-13(21-3)14(10)22-4/h5-9H,1-4H3,(H,18,19)
InChIKeyHLZHXQVZGHUYGT-UHFFFAOYSA-N
XLogP3.27
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dimethoxyphenyl)-5-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 53022147
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835553
2-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 95911504
3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 154747111
3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46342204
5-(4-chloro-3-nitrophenyl)-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazole
CID 23008260
3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 20952749
N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342176
3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952735
(2R)-2-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 51909704
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 8520617) is 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is COc1cccc(-c2noc(-c3cc(C(C)C)[nH]n3)n2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is HLZHXQVZGHUYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-9(2)11-8-12(19-18-11)16-17-15(20-23-16)10-6-5-7-13(21-3)14(10)22-4/h5-9H,1-4H3,(H,18,19).
What are the key properties of 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 314.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 8520617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).