5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C17H20N4O2 — CID 72844030

IUPAC5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2ccc(Cn3nc(C)cc3C)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-10-13(2)21(19-12)11-14-4-6-15(7-5-14)17-18-16(20-23-17)8-9-22-3/h4-7,10H,8-9,11H2,1-3H3
InChIKeyHEFWBRXOJULUPX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds6

About 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 72844030) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID72844030
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2ccc(Cn3nc(C)cc3C)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-10-13(2)21(19-12)11-14-4-6-15(7-5-14)17-18-16(20-23-17)8-9-22-3/h4-7,10H,8-9,11H2,1-3H3
InChIKeyHEFWBRXOJULUPX-UHFFFAOYSA-N
XLogP2.79
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 72844030) is 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(-c2ccc(Cn3nc(C)cc3C)cc2)n1.
What is the InChIKey of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is HEFWBRXOJULUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-10-13(2)21(19-12)11-14-4-6-15(7-5-14)17-18-16(20-23-17)8-9-22-3/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 312.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 72844030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).