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

C17H20N4O2 — CID 136569790

IUPAC[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol
SMILESCC(C)Cc1noc(Cn2cc(C(O)c3ccccc3)cn2)n1
InChIInChI=1S/C17H20N4O2/c1-12(2)8-15-19-16(23-20-15)11-21-10-14(9-18-21)17(22)13-6-4-3-5-7-13/h3-7,9-10,12,17,22H,8,11H2,1-2H3
InChIKeyULUDVGLZXLEKJP-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.59
Rot. Bonds6

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

[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol (PubChem CID 136569790) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol
PubChem CID136569790
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol
SMILESCC(C)Cc1noc(Cn2cc(C(O)c3ccccc3)cn2)n1
InChIInChI=1S/C17H20N4O2/c1-12(2)8-15-19-16(23-20-15)11-21-10-14(9-18-21)17(22)13-6-4-3-5-7-13/h3-7,9-10,12,17,22H,8,11H2,1-2H3
InChIKeyULUDVGLZXLEKJP-UHFFFAOYSA-N
XLogP2.59
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 71996931
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740542
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid
CID 107461534
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol
CID 75522163
5-(benzylsulfanylmethyl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 78838232
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid
CID 16781340
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62717203
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 134018585
2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide
CID 114778448
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 65137037

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol?
The IUPAC name of [1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol (CID 136569790) is [1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol?
The canonical SMILES for [1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol is CC(C)Cc1noc(Cn2cc(C(O)c3ccccc3)cn2)n1.
What is the InChIKey of [1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol?
The InChIKey is ULUDVGLZXLEKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(2)8-15-19-16(23-20-15)11-21-10-14(9-18-21)17(22)13-6-4-3-5-7-13/h3-7,9-10,12,17,22H,8,11H2,1-2H3.
What are the key properties of [1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol?
[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol has a molecular weight of 312.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol is sourced from PubChem (CID 136569790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).