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

C16H16N4O3 — CID 42585033

IUPAC5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)cc1OC
InChIInChI=1S/C16H16N4O3/c1-21-13-6-5-10(7-14(13)22-2)15-17-16(23-20-15)12-8-11(18-19-12)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyUXUGUJCDVIDOPW-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.02
Rot. Bonds5

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

5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 42585033) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID42585033
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)cc1OC
InChIInChI=1S/C16H16N4O3/c1-21-13-6-5-10(7-14(13)22-2)15-17-16(23-20-15)12-8-11(18-19-12)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyUXUGUJCDVIDOPW-UHFFFAOYSA-N
XLogP3.02
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CID 42585033) is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)cc1OC.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is UXUGUJCDVIDOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-21-13-6-5-10(7-14(13)22-2)15-17-16(23-20-15)12-8-11(18-19-12)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 312.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42585033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).