[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol

C14H18N2O2S — CID 110006910

IUPAC[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol
SMILESCCc1noc(C(C)SCc2ccc(CO)cc2)n1
InChIInChI=1S/C14H18N2O2S/c1-3-13-15-14(18-16-13)10(2)19-9-12-6-4-11(8-17)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyNKMQXVUPRCGZKN-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.12
Rot. Bonds6

About [4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol

[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol (PubChem CID 110006910) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol
PubChem CID110006910
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol
SMILESCCc1noc(C(C)SCc2ccc(CO)cc2)n1
InChIInChI=1S/C14H18N2O2S/c1-3-13-15-14(18-16-13)10(2)19-9-12-6-4-11(8-17)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyNKMQXVUPRCGZKN-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol?
The IUPAC name of [4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol (CID 110006910) is [4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol?
The canonical SMILES for [4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol is CCc1noc(C(C)SCc2ccc(CO)cc2)n1.
What is the InChIKey of [4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol?
The InChIKey is NKMQXVUPRCGZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-13-15-14(18-16-13)10(2)19-9-12-6-4-11(8-17)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3.
What are the key properties of [4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol?
[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol has a molecular weight of 278.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol is sourced from PubChem (CID 110006910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).