(R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol

C17H20N4O2 — CID 164635151

IUPAC(R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol
SMILESCCCCc1noc(Cn2cc([C@H](O)c3ccccc3)cn2)n1
InChIInChI=1S/C17H20N4O2/c1-2-3-9-15-19-16(23-20-15)12-21-11-14(10-18-21)17(22)13-7-5-4-6-8-13/h4-8,10-11,17,22H,2-3,9,12H2,1H3/t17-/m1/s1
InChIKeyBEBOWBWKCXFVCY-QGZVFWFLSA-N
MW312.37 g/mol
LogP2.74
Rot. Bonds7

About (R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol

(R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol (PubChem CID 164635151) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol
PubChem CID164635151
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol
SMILESCCCCc1noc(Cn2cc([C@H](O)c3ccccc3)cn2)n1
InChIInChI=1S/C17H20N4O2/c1-2-3-9-15-19-16(23-20-15)12-21-11-14(10-18-21)17(22)13-7-5-4-6-8-13/h4-8,10-11,17,22H,2-3,9,12H2,1H3/t17-/m1/s1
InChIKeyBEBOWBWKCXFVCY-QGZVFWFLSA-N
XLogP2.74
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol?
The IUPAC name of (R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol (CID 164635151) is (R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol.
What is the SMILES notation for (R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol?
The canonical SMILES for (R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol is CCCCc1noc(Cn2cc([C@H](O)c3ccccc3)cn2)n1.
What is the InChIKey of (R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol?
The InChIKey is BEBOWBWKCXFVCY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-3-9-15-19-16(23-20-15)12-21-11-14(10-18-21)17(22)13-7-5-4-6-8-13/h4-8,10-11,17,22H,2-3,9,12H2,1H3/t17-/m1/s1.
What are the key properties of (R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol?
(R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol has a molecular weight of 312.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol is sourced from PubChem (CID 164635151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).