OFKGEYZXPUGHBQ-OPEAARRCSA-N

Name: OFKGEYZXPUGHBQ-OPEAARRCSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₀H₂₅F₃N₂O₅ — CID 162545412

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

IUPACmethyl 2-[6-[[(1R)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

SMILESCOC(=O)CC1COc2cc(O[C@@H]3CCc4c3ccc(C(F)(F)F)c4-c3ccc(-c4nnc(C)o4)cc3)ccc21

InChIInChI=1S/C30H25F3N2O5/c1-16-34-35-29(39-16)18-5-3-17(4-6-18)28-23-10-12-25(22(23)9-11-24(28)30(31,32)33)40-20-7-8-21-19(13-27(36)37-2)15-38-26(21)14-20/h3-9,11,14,19,25H,10,12-13,15H2,1-2H3/t19?,25-/m1/s1

InChIKeyOFKGEYZXPUGHBQ-OPEAARRCSA-N

MW550.53 g/mol

LogP6.84

Rot. Bonds6

About OFKGEYZXPUGHBQ-OPEAARRCSA-N

OFKGEYZXPUGHBQ-OPEAARRCSA-N (PubChem CID 162545412) has the molecular formula C₃₀H₂₅F₃N₂O₅ and a molecular weight of 550.53 g/mol. Its IUPAC name is methyl 2-[6-[[(1R)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate.

Molecular Properties

Compound Name	OFKGEYZXPUGHBQ-OPEAARRCSA-N
PubChem CID	162545412
Molecular Formula	C₃₀H₂₅F₃N₂O₅
Molecular Weight	550.53 g/mol
Exact Mass	550.17
IUPAC Name	methyl 2-[6-[[(1R)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
SMILES	COC(=O)CC1COc2cc(O[C@@H]3CCc4c3ccc(C(F)(F)F)c4-c3ccc(-c4nnc(C)o4)cc3)ccc21
InChI	InChI=1S/C30H25F3N2O5/c1-16-34-35-29(39-16)18-5-3-17(4-6-18)28-23-10-12-25(22(23)9-11-24(28)30(31,32)33)40-20-7-8-21-19(13-27(36)37-2)15-38-26(21)14-20/h3-9,11,14,19,25H,10,12-13,15H2,1-2H3/t19?,25-/m1/s1
InChIKey	OFKGEYZXPUGHBQ-OPEAARRCSA-N
XLogP	6.84
TPSA	83.68 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.53
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of OFKGEYZXPUGHBQ-OPEAARRCSA-N?

The IUPAC name of OFKGEYZXPUGHBQ-OPEAARRCSA-N (CID 162545412) is methyl 2-[6-[[(1R)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate.

What is the SMILES notation for OFKGEYZXPUGHBQ-OPEAARRCSA-N?

The canonical SMILES for OFKGEYZXPUGHBQ-OPEAARRCSA-N is COC(=O)CC1COc2cc(O[C@@H]3CCc4c3ccc(C(F)(F)F)c4-c3ccc(-c4nnc(C)o4)cc3)ccc21.

What is the InChIKey of OFKGEYZXPUGHBQ-OPEAARRCSA-N?

The InChIKey is OFKGEYZXPUGHBQ-OPEAARRCSA-N. The full InChI is InChI=1S/C30H25F3N2O5/c1-16-34-35-29(39-16)18-5-3-17(4-6-18)28-23-10-12-25(22(23)9-11-24(28)30(31,32)33)40-20-7-8-21-19(13-27(36)37-2)15-38-26(21)14-20/h3-9,11,14,19,25H,10,12-13,15H2,1-2H3/t19?,25-/m1/s1.

What are the key properties of OFKGEYZXPUGHBQ-OPEAARRCSA-N?

OFKGEYZXPUGHBQ-OPEAARRCSA-N has a molecular weight of 550.53 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for OFKGEYZXPUGHBQ-OPEAARRCSA-N is sourced from PubChem (CID 162545412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 162545412 — identifiers, structure, computed properties (public domain)

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