(5-thiophen-3-yl-1,2-oxazol-3-yl) acetate

C9H7NO3S — CID 174599806

IUPAC(5-thiophen-3-yl-1,2-oxazol-3-yl) acetate
SMILESCC(=O)Oc1cc(-c2ccsc2)on1
InChIInChI=1S/C9H7NO3S/c1-6(11)12-9-4-8(13-10-9)7-2-3-14-5-7/h2-5H,1H3
InChIKeyPAKQDQTWTRHRDA-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.33
Rot. Bonds2

About (5-thiophen-3-yl-1,2-oxazol-3-yl) acetate

(5-thiophen-3-yl-1,2-oxazol-3-yl) acetate (PubChem CID 174599806) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is (5-thiophen-3-yl-1,2-oxazol-3-yl) acetate.

Molecular Properties

Compound Name(5-thiophen-3-yl-1,2-oxazol-3-yl) acetate
PubChem CID174599806
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name(5-thiophen-3-yl-1,2-oxazol-3-yl) acetate
SMILESCC(=O)Oc1cc(-c2ccsc2)on1
InChIInChI=1S/C9H7NO3S/c1-6(11)12-9-4-8(13-10-9)7-2-3-14-5-7/h2-5H,1H3
InChIKeyPAKQDQTWTRHRDA-UHFFFAOYSA-N
XLogP2.33
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-thiophen-3-yl-1,2-oxazol-3-yl) formate
CID 174766364
N-cyclopropyl-5-thiophen-3-yl-1,2-oxazole-3-carboxamide
CID 24859444
(2,6-ditert-butyl-4-thiophen-3-ylphenyl) acetate
CID 102013088
1-(2-methyl-5-thiophen-3-ylfuran-3-yl)ethanone
CID 23129496
lithium;hydride;thiophen-3-yl acetate
CID 175236484
[5-(4-aminophenyl)-1,2-oxazol-3-yl] N,N-diethylcarbamate
CID 67106921
1-(5-thiophen-3-yl-1,2-oxazol-3-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
CID 58128763
ethane;1-(4-thiophen-3-ylphenyl)ethanone
CID 143391114
methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate
CID 170884294
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129356549
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933
(3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 40767085

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-3-yl-1,2-oxazol-3-yl) acetate?
The IUPAC name of (5-thiophen-3-yl-1,2-oxazol-3-yl) acetate (CID 174599806) is (5-thiophen-3-yl-1,2-oxazol-3-yl) acetate.
What is the SMILES notation for (5-thiophen-3-yl-1,2-oxazol-3-yl) acetate?
The canonical SMILES for (5-thiophen-3-yl-1,2-oxazol-3-yl) acetate is CC(=O)Oc1cc(-c2ccsc2)on1.
What is the InChIKey of (5-thiophen-3-yl-1,2-oxazol-3-yl) acetate?
The InChIKey is PAKQDQTWTRHRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-6(11)12-9-4-8(13-10-9)7-2-3-14-5-7/h2-5H,1H3.
What are the key properties of (5-thiophen-3-yl-1,2-oxazol-3-yl) acetate?
(5-thiophen-3-yl-1,2-oxazol-3-yl) acetate has a molecular weight of 209.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-3-yl-1,2-oxazol-3-yl) acetate is sourced from PubChem (CID 174599806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).