4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol

C11H12N2O2 — CID 135912791

IUPAC4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
SMILESCC(C)c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C11H12N2O2/c1-7(2)11-12-10(13-15-11)8-3-5-9(14)6-4-8/h3-7,14H,1-2H3
InChIKeyWNYGMAQFYMJQBA-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.57
Rot. Bonds2

About 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol

4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 135912791) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID135912791
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
SMILESCC(C)c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C11H12N2O2/c1-7(2)11-12-10(13-15-11)8-3-5-9(14)6-4-8/h3-7,14H,1-2H3
InChIKeyWNYGMAQFYMJQBA-UHFFFAOYSA-N
XLogP2.57
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol
CID 69099723
4-[5-[(1R)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenol
CID 136775541
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,2,4-oxadiazol-3-yl]phenol
CID 136775553
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63346487
3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 71088156
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 136889344
2-methyl-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43625121
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874

Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol (CID 135912791) is 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol is CC(C)c1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is WNYGMAQFYMJQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)11-12-10(13-15-11)8-3-5-9(14)6-4-8/h3-7,14H,1-2H3.
What are the key properties of 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol?
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 204.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 135912791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).