4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol

C16H22N2O3 — CID 61495340

IUPAC4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCc2nc(C(C)C)no2)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)16-17-15(21-18-16)10-20-14-8-6-13(7-9-14)5-4-12(3)19/h6-9,11-12,19H,4-5,10H2,1-3H3
InChIKeyHVGXTRXFEYTCIN-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.09
Rot. Bonds7

About 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol

4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol (PubChem CID 61495340) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
PubChem CID61495340
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCc2nc(C(C)C)no2)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)16-17-15(21-18-16)10-20-14-8-6-13(7-9-14)5-4-12(3)19/h6-9,11-12,19H,4-5,10H2,1-3H3
InChIKeyHVGXTRXFEYTCIN-UHFFFAOYSA-N
XLogP3.09
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol with MolForge

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Related Compounds

4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 43504099
5-[(4-pentylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112811277
4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
CID 61495563
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495251
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 30591348
4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 60879201
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 30029227
ethyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60721315
5-methyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 47025975
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol
CID 110906702

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol?
The IUPAC name of 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol (CID 61495340) is 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol?
The canonical SMILES for 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol is CC(O)CCc1ccc(OCc2nc(C(C)C)no2)cc1.
What is the InChIKey of 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol?
The InChIKey is HVGXTRXFEYTCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)16-17-15(21-18-16)10-20-14-8-6-13(7-9-14)5-4-12(3)19/h6-9,11-12,19H,4-5,10H2,1-3H3.
What are the key properties of 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol?
4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol has a molecular weight of 290.36 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol is sourced from PubChem (CID 61495340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).