(R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol

C16H18N4O2 — CID 164634674

IUPAC(R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol
SMILESCC(C)c1noc(Cn2cc([C@H](O)c3ccccc3)cn2)n1
InChIInChI=1S/C16H18N4O2/c1-11(2)16-18-14(22-19-16)10-20-9-13(8-17-20)15(21)12-6-4-3-5-7-12/h3-9,11,15,21H,10H2,1-2H3/t15-/m1/s1
InChIKeyJFNMRXINEBWRHC-OAHLLOKOSA-N
MW298.35 g/mol
LogP2.52
Rot. Bonds5

About (R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol

(R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol (PubChem CID 164634674) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol
PubChem CID164634674
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol
SMILESCC(C)c1noc(Cn2cc([C@H](O)c3ccccc3)cn2)n1
InChIInChI=1S/C16H18N4O2/c1-11(2)16-18-14(22-19-16)10-20-9-13(8-17-20)15(21)12-6-4-3-5-7-12/h3-9,11,15,21H,10H2,1-2H3/t15-/m1/s1
InChIKeyJFNMRXINEBWRHC-OAHLLOKOSA-N
XLogP2.52
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of (R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol (CID 164634674) is (R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for (R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for (R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol is CC(C)c1noc(Cn2cc([C@H](O)c3ccccc3)cn2)n1.
What is the InChIKey of (R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol?
The InChIKey is JFNMRXINEBWRHC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(2)16-18-14(22-19-16)10-20-9-13(8-17-20)15(21)12-6-4-3-5-7-12/h3-9,11,15,21H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol?
(R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol has a molecular weight of 298.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 164634674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).