3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol

C14H18N2O3S — CID 103705556

IUPAC3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol
SMILESCOc1ccc(-c2noc(CSC(C)C(C)O)n2)cc1
InChIInChI=1S/C14H18N2O3S/c1-9(17)10(2)20-8-13-15-14(16-19-13)11-4-6-12(18-3)7-5-11/h4-7,9-10,17H,8H2,1-3H3
InChIKeyVMBBNYSAXDPEJV-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.75
Rot. Bonds6

About 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol

3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol (PubChem CID 103705556) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol
PubChem CID103705556
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol
SMILESCOc1ccc(-c2noc(CSC(C)C(C)O)n2)cc1
InChIInChI=1S/C14H18N2O3S/c1-9(17)10(2)20-8-13-15-14(16-19-13)11-4-6-12(18-3)7-5-11/h4-7,9-10,17H,8H2,1-3H3
InChIKeyVMBBNYSAXDPEJV-UHFFFAOYSA-N
XLogP2.75
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol with MolForge

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Related Compounds

2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propan-1-amine
CID 66217382
2-amino-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 43385560
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol
CID 30028427
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylazanium
CID 6957276
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345772
(2S)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbutan-1-ol
CID 95562723
(2R)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbutan-1-ol
CID 95562724
4-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2997308
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 9487605

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol?
The IUPAC name of 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol (CID 103705556) is 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol is COc1ccc(-c2noc(CSC(C)C(C)O)n2)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol?
The InChIKey is VMBBNYSAXDPEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9(17)10(2)20-8-13-15-14(16-19-13)11-4-6-12(18-3)7-5-11/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol?
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol has a molecular weight of 294.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-ol is sourced from PubChem (CID 103705556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).