3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole

C15H14N4O2 — CID 97082937

IUPAC3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2cc(-c3nc([C@H]4CCOC4)no3)[nH]n2)cc1
InChIInChI=1S/C15H14N4O2/c1-2-4-10(5-3-1)12-8-13(18-17-12)15-16-14(19-21-15)11-6-7-20-9-11/h1-5,8,11H,6-7,9H2,(H,17,18)/t11-/m0/s1
InChIKeySDOXQPIEBSKWEF-NSHDSACASA-N
MW282.30 g/mol
LogP2.63
Rot. Bonds3

About 3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole

3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 97082937) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID97082937
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2cc(-c3nc([C@H]4CCOC4)no3)[nH]n2)cc1
InChIInChI=1S/C15H14N4O2/c1-2-4-10(5-3-1)12-8-13(18-17-12)15-16-14(19-21-15)11-6-7-20-9-11/h1-5,8,11H,6-7,9H2,(H,17,18)/t11-/m0/s1
InChIKeySDOXQPIEBSKWEF-NSHDSACASA-N
XLogP2.63
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole (CID 97082937) is 3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is c1ccc(-c2cc(-c3nc([C@H]4CCOC4)no3)[nH]n2)cc1.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is SDOXQPIEBSKWEF-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-4-10(5-3-1)12-8-13(18-17-12)15-16-14(19-21-15)11-6-7-20-9-11/h1-5,8,11H,6-7,9H2,(H,17,18)/t11-/m0/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 97082937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).