3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

Name: 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₂F₃NO₃S — CID 99628868

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

SMILESCc1oc(-c2cccs2)nc1CC(=O)OCCC(F)(F)F

InChIInChI=1S/C13H12F3NO3S/c1-8-9(7-11(18)19-5-4-13(14,15)16)17-12(20-8)10-3-2-6-21-10/h2-3,6H,4-5,7H2,1H3

InChIKeyAKZATBLQKVPGSW-UHFFFAOYSA-N

MW319.30 g/mol

LogP3.75

Rot. Bonds5

About 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (PubChem CID 99628868) has the molecular formula C₁₃H₁₂F₃NO₃S and a molecular weight of 319.30 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name	3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
PubChem CID	99628868
Molecular Formula	C₁₃H₁₂F₃NO₃S
Molecular Weight	319.30 g/mol
Exact Mass	319.05
IUPAC Name	3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILES	Cc1oc(-c2cccs2)nc1CC(=O)OCCC(F)(F)F
InChI	InChI=1S/C13H12F3NO3S/c1-8-9(7-11(18)19-5-4-13(14,15)16)17-12(20-8)10-3-2-6-21-10/h2-3,6H,4-5,7H2,1H3
InChIKey	AKZATBLQKVPGSW-UHFFFAOYSA-N
XLogP	3.75
TPSA	52.33 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.30
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?

The IUPAC name of 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (CID 99628868) is 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.

What is the SMILES notation for 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?

The canonical SMILES for 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is Cc1oc(-c2cccs2)nc1CC(=O)OCCC(F)(F)F.

What is the InChIKey of 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?

The InChIKey is AKZATBLQKVPGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3S/c1-8-9(7-11(18)19-5-4-13(14,15)16)17-12(20-8)10-3-2-6-21-10/h2-3,6H,4-5,7H2,1H3.

What are the key properties of 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?

3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 319.30 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 99628868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 99628868 — identifiers, structure, computed properties (public domain)

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