[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol

C17H18N4O2 — CID 141194690

IUPAC[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol
SMILESCC(C)Cc1ccc(-c2nc(-c3cnc(CO)nc3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-11(2)7-12-3-5-13(6-4-12)17-20-16(21-23-17)14-8-18-15(10-22)19-9-14/h3-6,8-9,11,22H,7,10H2,1-2H3
InChIKeyQCHIZAADXDSCDH-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.88
Rot. Bonds5

About [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol

[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol (PubChem CID 141194690) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol
PubChem CID141194690
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol
SMILESCC(C)Cc1ccc(-c2nc(-c3cnc(CO)nc3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-11(2)7-12-3-5-13(6-4-12)17-20-16(21-23-17)14-8-18-15(10-22)19-9-14/h3-6,8-9,11,22H,7,10H2,1-2H3
InChIKeyQCHIZAADXDSCDH-UHFFFAOYSA-N
XLogP2.88
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol?
The IUPAC name of [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol (CID 141194690) is [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol?
The canonical SMILES for [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol is CC(C)Cc1ccc(-c2nc(-c3cnc(CO)nc3)no2)cc1.
What is the InChIKey of [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol?
The InChIKey is QCHIZAADXDSCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(2)7-12-3-5-13(6-4-12)17-20-16(21-23-17)14-8-18-15(10-22)19-9-14/h3-6,8-9,11,22H,7,10H2,1-2H3.
What are the key properties of [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol?
[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol has a molecular weight of 310.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 141194690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).