1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol

C14H17NO2S — CID 64666367

IUPAC1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol
SMILESCc1noc(C)c1CSc1cccc(C(C)O)c1
InChIInChI=1S/C14H17NO2S/c1-9-14(11(3)17-15-9)8-18-13-6-4-5-12(7-13)10(2)16/h4-7,10,16H,8H2,1-3H3
InChIKeyATKKHUCODDAIIH-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.64
Rot. Bonds4

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

1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol (PubChem CID 64666367) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol
PubChem CID64666367
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol
SMILESCc1noc(C)c1CSc1cccc(C(C)O)c1
InChIInChI=1S/C14H17NO2S/c1-9-14(11(3)17-15-9)8-18-13-6-4-5-12(7-13)10(2)16/h4-7,10,16H,8H2,1-3H3
InChIKeyATKKHUCODDAIIH-UHFFFAOYSA-N
XLogP3.64
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine
CID 64664850
1-[3-(pyrimidin-2-ylmethylsulfanyl)phenyl]ethanol
CID 64664474
1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol
CID 64665733
N-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 66349113
1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
CID 105409441
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol
CID 64666153
1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol
CID 64667045
N-[1-(3-bromophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 43059209
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 78766237
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 7570115

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol?
The IUPAC name of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol (CID 64666367) is 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol is Cc1noc(C)c1CSc1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol?
The InChIKey is ATKKHUCODDAIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9-14(11(3)17-15-9)8-18-13-6-4-5-12(7-13)10(2)16/h4-7,10,16H,8H2,1-3H3.
What are the key properties of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol?
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol has a molecular weight of 263.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 64666367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).