3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol

C14H11NO2S2 — CID 104590345

IUPAC3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol
SMILESOc1cccc(SCc2cc(-c3cccs3)on2)c1
InChIInChI=1S/C14H11NO2S2/c16-11-3-1-4-12(8-11)19-9-10-7-13(17-15-10)14-5-2-6-18-14/h1-8,16H,9H2
InChIKeyGIJXSAUTQFSMFV-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.40
Rot. Bonds4

About 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol

3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol (PubChem CID 104590345) has the molecular formula C14H11NO2S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol
PubChem CID104590345
Molecular FormulaC14H11NO2S2
Molecular Weight289.38 g/mol
Exact Mass289.02
IUPAC Name3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol
SMILESOc1cccc(SCc2cc(-c3cccs3)on2)c1
InChIInChI=1S/C14H11NO2S2/c16-11-3-1-4-12(8-11)19-9-10-7-13(17-15-10)14-5-2-6-18-14/h1-8,16H,9H2
InChIKeyGIJXSAUTQFSMFV-UHFFFAOYSA-N
XLogP4.40
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79134577
3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol
CID 104590242
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
CID 47021155
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol
CID 104590545
2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79146830
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8942054
4-chloro-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79528047
3-(butylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
CID 112795792
3-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8749191
3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol
CID 170887655
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol
CID 104590164
4,6-dimethyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 40690388

Frequently Asked Questions

What is the IUPAC name of 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol?
The IUPAC name of 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol (CID 104590345) is 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol is Oc1cccc(SCc2cc(-c3cccs3)on2)c1.
What is the InChIKey of 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol?
The InChIKey is GIJXSAUTQFSMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S2/c16-11-3-1-4-12(8-11)19-9-10-7-13(17-15-10)14-5-2-6-18-14/h1-8,16H,9H2.
What are the key properties of 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol?
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol has a molecular weight of 289.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol is sourced from PubChem (CID 104590345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).