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

C16H22N2O3 — CID 61495563

IUPAC4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
SMILESCCCc1nc(COc2ccc(CCC(C)O)cc2)no1
InChIInChI=1S/C16H22N2O3/c1-3-4-16-17-15(18-21-16)11-20-14-9-7-13(8-10-14)6-5-12(2)19/h7-10,12,19H,3-6,11H2,1-2H3
InChIKeyCEHBQHVKKFWVNM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.91
Rot. Bonds8

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

4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol (PubChem CID 61495563) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
PubChem CID61495563
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
SMILESCCCc1nc(COc2ccc(CCC(C)O)cc2)no1
InChIInChI=1S/C16H22N2O3/c1-3-4-16-17-15(18-21-16)11-20-14-9-7-13(8-10-14)6-5-12(2)19/h7-10,12,19H,3-6,11H2,1-2H3
InChIKeyCEHBQHVKKFWVNM-UHFFFAOYSA-N
XLogP2.91
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(5-propyl-1,2,4-oxadiazol-3-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
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167
4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 61495340
1-[5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79799529
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82915719
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429
[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol
CID 110906702
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol
CID 61487425
3-[(4-bromo-3-methylphenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 81300449
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61495423

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol?
The IUPAC name of 4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol (CID 61495563) is 4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol?
The canonical SMILES for 4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol is CCCc1nc(COc2ccc(CCC(C)O)cc2)no1.
What is the InChIKey of 4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol?
The InChIKey is CEHBQHVKKFWVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-16-17-15(18-21-16)11-20-14-9-7-13(8-10-14)6-5-12(2)19/h7-10,12,19H,3-6,11H2,1-2H3.
What are the key properties of 4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol?
4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol has a molecular weight of 290.36 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol is sourced from PubChem (CID 61495563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).