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

C12H18N4O2 — CID 75522163

IUPAC2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol
SMILESCC(C)Cc1nc(Cn2cc(CCO)cn2)no1
InChIInChI=1S/C12H18N4O2/c1-9(2)5-12-14-11(15-18-12)8-16-7-10(3-4-17)6-13-16/h6-7,9,17H,3-5,8H2,1-2H3
InChIKeyZGXVPPPWYGNKKM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.05
Rot. Bonds6

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

2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol (PubChem CID 75522163) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol
PubChem CID75522163
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol
SMILESCC(C)Cc1nc(Cn2cc(CCO)cn2)no1
InChIInChI=1S/C12H18N4O2/c1-9(2)5-12-14-11(15-18-12)8-16-7-10(3-4-17)6-13-16/h6-7,9,17H,3-5,8H2,1-2H3
InChIKeyZGXVPPPWYGNKKM-UHFFFAOYSA-N
XLogP1.05
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.05
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
[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol
CID 136569790
5-(2-methylpropyl)-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609560
3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole
CID 61496925
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanol
CID 43502586
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 71931260
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
CID 62357687
4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 47087536
2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079152
2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826986

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol (CID 75522163) is 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol is CC(C)Cc1nc(Cn2cc(CCO)cn2)no1.
What is the InChIKey of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol?
The InChIKey is ZGXVPPPWYGNKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(2)5-12-14-11(15-18-12)8-16-7-10(3-4-17)6-13-16/h6-7,9,17H,3-5,8H2,1-2H3.
What are the key properties of 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol?
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol has a molecular weight of 250.30 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 75522163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).