(1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol

C15H20N2O3 — CID 63650770

IUPAC(1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2noc(C(C)C)n2)c1
InChIInChI=1S/C15H20N2O3/c1-9(2)15-16-14(17-20-15)8-19-13-7-10(3)5-6-12(13)11(4)18/h5-7,9,11,18H,8H2,1-4H3/t11-/m0/s1
InChIKeyLJSIFMMUMXTEGJ-NSHDSACASA-N
MW276.34 g/mol
LogP3.13
Rot. Bonds5

About (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol

(1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 63650770) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
PubChem CID63650770
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2noc(C(C)C)n2)c1
InChIInChI=1S/C15H20N2O3/c1-9(2)15-16-14(17-20-15)8-19-13-7-10(3)5-6-12(13)11(4)18/h5-7,9,11,18H,8H2,1-4H3/t11-/m0/s1
InChIKeyLJSIFMMUMXTEGJ-NSHDSACASA-N
XLogP3.13
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 63325984
(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 107719931
(1S)-1-[4-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78935724
(1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001564
(1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 102947252
[3-ethoxy-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
CID 61497410
3-[(3,5-dimethylphenoxy)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 63362112
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]naphthalen-2-ol
CID 61497370
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640960
1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 43503950
(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 55188832

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol (CID 63650770) is (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol is Cc1ccc([C@H](C)O)c(OCc2noc(C(C)C)n2)c1.
What is the InChIKey of (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is LJSIFMMUMXTEGJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)15-16-14(17-20-15)8-19-13-7-10(3)5-6-12(13)11(4)18/h5-7,9,11,18H,8H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
(1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 276.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 63650770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).