0YSL9C6AHT

Name: 0YSL9C6AHT — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₅H₂₃NO₅S — CID 146675094

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

IUPAC(2S)-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenoxypropanoic acid

SMILESCc1oc(-c2cccs2)nc1CCOc1ccc(C[C@H](Oc2ccccc2)C(=O)O)cc1

InChIInChI=1S/C25H23NO5S/c1-17-21(26-24(30-17)23-8-5-15-32-23)13-14-29-19-11-9-18(10-12-19)16-22(25(27)28)31-20-6-3-2-4-7-20/h2-12,15,22H,13-14,16H2,1H3,(H,27,28)/t22-/m0/s1

InChIKeyACJLLRYCNQTXAG-QFIPXVFZSA-N

MW449.53 g/mol

LogP5.41

Rot. Bonds10

About 0YSL9C6AHT

0YSL9C6AHT (PubChem CID 146675094) has the molecular formula C₂₅H₂₃NO₅S and a molecular weight of 449.53 g/mol. Its IUPAC name is (2S)-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenoxypropanoic acid.

Molecular Properties

Compound Name	0YSL9C6AHT
PubChem CID	146675094
Molecular Formula	C₂₅H₂₃NO₅S
Molecular Weight	449.53 g/mol
Exact Mass	449.13
IUPAC Name	(2S)-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenoxypropanoic acid
SMILES	Cc1oc(-c2cccs2)nc1CCOc1ccc(C[C@H](Oc2ccccc2)C(=O)O)cc1
InChI	InChI=1S/C25H23NO5S/c1-17-21(26-24(30-17)23-8-5-15-32-23)13-14-29-19-11-9-18(10-12-19)16-22(25(27)28)31-20-6-3-2-4-7-20/h2-12,15,22H,13-14,16H2,1H3,(H,27,28)/t22-/m0/s1
InChIKey	ACJLLRYCNQTXAG-QFIPXVFZSA-N
XLogP	5.41
TPSA	81.79 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 0YSL9C6AHT?

The IUPAC name of 0YSL9C6AHT (CID 146675094) is (2S)-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenoxypropanoic acid.

What is the SMILES notation for 0YSL9C6AHT?

The canonical SMILES for 0YSL9C6AHT is Cc1oc(-c2cccs2)nc1CCOc1ccc(C[C@H](Oc2ccccc2)C(=O)O)cc1.

What is the InChIKey of 0YSL9C6AHT?

The InChIKey is ACJLLRYCNQTXAG-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23NO5S/c1-17-21(26-24(30-17)23-8-5-15-32-23)13-14-29-19-11-9-18(10-12-19)16-22(25(27)28)31-20-6-3-2-4-7-20/h2-12,15,22H,13-14,16H2,1H3,(H,27,28)/t22-/m0/s1.

What are the key properties of 0YSL9C6AHT?

0YSL9C6AHT has a molecular weight of 449.53 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 0YSL9C6AHT is sourced from PubChem (CID 146675094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146675094 — identifiers, structure, computed properties (public domain)

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