1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol

C14H18N2O2S — CID 64665733

IUPAC1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol
SMILESCCCc1noc(CSc2cccc(C(C)O)c2)n1
InChIInChI=1S/C14H18N2O2S/c1-3-5-13-15-14(18-16-13)9-19-12-7-4-6-11(8-12)10(2)17/h4,6-8,10,17H,3,5,9H2,1-2H3
InChIKeyVXBYRYCTCOHHAW-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.37
Rot. Bonds6

About 1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol

1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol (PubChem CID 64665733) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol
PubChem CID64665733
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol
SMILESCCCc1noc(CSc2cccc(C(C)O)c2)n1
InChIInChI=1S/C14H18N2O2S/c1-3-5-13-15-14(18-16-13)9-19-12-7-4-6-11(8-12)10(2)17/h4,6-8,10,17H,3,5,9H2,1-2H3
InChIKeyVXBYRYCTCOHHAW-UHFFFAOYSA-N
XLogP3.37
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanamine
CID 64665074
5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 134040236
1-[3-(pyrimidin-2-ylmethylsulfanyl)phenyl]ethanol
CID 64664474
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol
CID 64666367
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
(1R)-1-[3-methoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364675
3-methyl-1-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 66087033
3-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]phenol
CID 104590737
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzaldehyde
CID 66354074
N-ethyl-4-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 66088002
(1R)-1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55189536
4-methyl-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79141342

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol?
The IUPAC name of 1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol (CID 64665733) is 1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol is CCCc1noc(CSc2cccc(C(C)O)c2)n1.
What is the InChIKey of 1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol?
The InChIKey is VXBYRYCTCOHHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-5-13-15-14(18-16-13)9-19-12-7-4-6-11(8-12)10(2)17/h4,6-8,10,17H,3,5,9H2,1-2H3.
What are the key properties of 1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol?
1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol has a molecular weight of 278.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 64665733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).