SFMMLKDZAWGSRC-PBYQXAPXSA-N

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

C₃₄H₃₀F₆N₄O₅ — CID 56968953

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

IUPAC5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1-methylpyrrole-3-carboxylic acid

SMILESCOc1ccc(-c2cc(C(=O)O)cn2C)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C

InChIInChI=1S/C34H30F6N4O5/c1-18-30(20-11-22(33(35,36)37)15-23(12-20)34(38,39)40)49-32(47)44(18)17-26-24(6-8-29(41-26)43-9-4-10-43)25-13-19(5-7-28(25)48-3)27-14-21(31(45)46)16-42(27)2/h5-8,11-16,18,30H,4,9-10,17H2,1-3H3,(H,45,46)/t18-,30-/m0/s1

InChIKeySFMMLKDZAWGSRC-PBYQXAPXSA-N

MW688.63 g/mol

LogP7.79

Rot. Bonds8

About SFMMLKDZAWGSRC-PBYQXAPXSA-N

SFMMLKDZAWGSRC-PBYQXAPXSA-N (PubChem CID 56968953) has the molecular formula C₃₄H₃₀F₆N₄O₅ and a molecular weight of 688.63 g/mol. Its IUPAC name is 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name	SFMMLKDZAWGSRC-PBYQXAPXSA-N
PubChem CID	56968953
Molecular Formula	C₃₄H₃₀F₆N₄O₅
Molecular Weight	688.63 g/mol
Exact Mass	688.21
IUPAC Name	5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1-methylpyrrole-3-carboxylic acid
SMILES	COc1ccc(-c2cc(C(=O)O)cn2C)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChI	InChI=1S/C34H30F6N4O5/c1-18-30(20-11-22(33(35,36)37)15-23(12-20)34(38,39)40)49-32(47)44(18)17-26-24(6-8-29(41-26)43-9-4-10-43)25-13-19(5-7-28(25)48-3)27-14-21(31(45)46)16-42(27)2/h5-8,11-16,18,30H,4,9-10,17H2,1-3H3,(H,45,46)/t18-,30-/m0/s1
InChIKey	SFMMLKDZAWGSRC-PBYQXAPXSA-N
XLogP	7.79
TPSA	97.13 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	49
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.63
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of SFMMLKDZAWGSRC-PBYQXAPXSA-N?

The IUPAC name of SFMMLKDZAWGSRC-PBYQXAPXSA-N (CID 56968953) is 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1-methylpyrrole-3-carboxylic acid.

What is the SMILES notation for SFMMLKDZAWGSRC-PBYQXAPXSA-N?

The canonical SMILES for SFMMLKDZAWGSRC-PBYQXAPXSA-N is COc1ccc(-c2cc(C(=O)O)cn2C)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.

What is the InChIKey of SFMMLKDZAWGSRC-PBYQXAPXSA-N?

The InChIKey is SFMMLKDZAWGSRC-PBYQXAPXSA-N. The full InChI is InChI=1S/C34H30F6N4O5/c1-18-30(20-11-22(33(35,36)37)15-23(12-20)34(38,39)40)49-32(47)44(18)17-26-24(6-8-29(41-26)43-9-4-10-43)25-13-19(5-7-28(25)48-3)27-14-21(31(45)46)16-42(27)2/h5-8,11-16,18,30H,4,9-10,17H2,1-3H3,(H,45,46)/t18-,30-/m0/s1.

What are the key properties of SFMMLKDZAWGSRC-PBYQXAPXSA-N?

SFMMLKDZAWGSRC-PBYQXAPXSA-N has a molecular weight of 688.63 g/mol, XLogP of 7.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for SFMMLKDZAWGSRC-PBYQXAPXSA-N is sourced from PubChem (CID 56968953), 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 56968953 — identifiers, structure, computed properties (public domain)

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