2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

C21H15N5O3 — CID 141176412

IUPAC2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(-c2c(-c3ccccc3)noc2-n2cccn2)o1
InChIInChI=1S/C21H15N5O3/c1-27-16-11-6-5-10-15(16)19-23-24-20(28-19)17-18(14-8-3-2-4-9-14)25-29-21(17)26-13-7-12-22-26/h2-13H,1H3
InChIKeyJQLIDLRUJPZCCV-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.25
Rot. Bonds5

About 2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole (PubChem CID 141176412) has the molecular formula C21H15N5O3 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
PubChem CID141176412
Molecular FormulaC21H15N5O3
Molecular Weight385.38 g/mol
Exact Mass385.12
IUPAC Name2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(-c2c(-c3ccccc3)noc2-n2cccn2)o1
InChIInChI=1S/C21H15N5O3/c1-27-16-11-6-5-10-15(16)19-23-24-20(28-19)17-18(14-8-3-2-4-9-14)25-29-21(17)26-13-7-12-22-26/h2-13H,1H3
InChIKeyJQLIDLRUJPZCCV-UHFFFAOYSA-N
XLogP4.25
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole (CID 141176412) is 2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole is COc1ccccc1-c1nnc(-c2c(-c3ccccc3)noc2-n2cccn2)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is JQLIDLRUJPZCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3/c1-27-16-11-6-5-10-15(16)19-23-24-20(28-19)17-18(14-8-3-2-4-9-14)25-29-21(17)26-13-7-12-22-26/h2-13H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 385.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 141176412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).