[3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol

C17H20N4O2 — CID 28871717

IUPAC[3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCc1nn(C)c(C)c1CCc1nc(-c2cccc(CO)c2)no1
InChIInChI=1S/C17H20N4O2/c1-11-15(12(2)21(3)19-11)7-8-16-18-17(20-23-16)14-6-4-5-13(9-14)10-22/h4-6,9,22H,7-8,10H2,1-3H3
InChIKeyXJIGYJYZXNMNIU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.36
Rot. Bonds5

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

[3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 28871717) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID28871717
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCc1nn(C)c(C)c1CCc1nc(-c2cccc(CO)c2)no1
InChIInChI=1S/C17H20N4O2/c1-11-15(12(2)21(3)19-11)7-8-16-18-17(20-23-16)14-6-4-5-13(9-14)10-22/h4-6,9,22H,7-8,10H2,1-3H3
InChIKeyXJIGYJYZXNMNIU-UHFFFAOYSA-N
XLogP2.36
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72844030
(5-{4-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanol
CID 90648632
N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271981
5-[3-[(3,5-Dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326248
[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 55473287
3-(3,4-Difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole
CID 126778463
3-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole
CID 2746186
1-{2-[2-(5-Phenyl-1,2,4-oxadiazol-3-YL)ethyl]pyrrolidin-1-YL}-3-(1,3,5-trimethyl-1H-pyrazol-4-YL)propan-1-one
CID 132339972
[3-[5-Methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 68510366
5-[3-[(3,5-Dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole
CID 19324458
5-[3-[(3,5-Dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole
CID 19324468
5-[3-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole
CID 19324493

Frequently Asked Questions

What is the IUPAC name of [3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of [3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 28871717) is [3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol is Cc1nn(C)c(C)c1CCc1nc(-c2cccc(CO)c2)no1.
What is the InChIKey of [3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is XJIGYJYZXNMNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-15(12(2)21(3)19-11)7-8-16-18-17(20-23-16)14-6-4-5-13(9-14)10-22/h4-6,9,22H,7-8,10H2,1-3H3.
What are the key properties of [3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
[3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 312.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 28871717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).