UDAYZKDMFXCAPC-PBYQXAPXSA-N

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

C₃₄H₂₈F₆N₄O₅ — CID 56968954

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

IUPAC6-[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]pyridine-3-carboxylic acid

SMILESCOc1ccc(-c2ccc(C(=O)O)cn2)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C

InChIInChI=1S/C34H28F6N4O5/c1-18-30(21-12-22(33(35,36)37)15-23(13-21)34(38,39)40)49-32(47)44(18)17-27-24(6-9-29(42-27)43-10-3-11-43)25-14-19(5-8-28(25)48-2)26-7-4-20(16-41-26)31(45)46/h4-9,12-16,18,30H,3,10-11,17H2,1-2H3,(H,45,46)/t18-,30-/m0/s1

InChIKeyUDAYZKDMFXCAPC-PBYQXAPXSA-N

MW686.61 g/mol

LogP7.85

Rot. Bonds8

About UDAYZKDMFXCAPC-PBYQXAPXSA-N

UDAYZKDMFXCAPC-PBYQXAPXSA-N (PubChem CID 56968954) has the molecular formula C₃₄H₂₈F₆N₄O₅ and a molecular weight of 686.61 g/mol. Its IUPAC name is 6-[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]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name	UDAYZKDMFXCAPC-PBYQXAPXSA-N
PubChem CID	56968954
Molecular Formula	C₃₄H₂₈F₆N₄O₅
Molecular Weight	686.61 g/mol
Exact Mass	686.20
IUPAC Name	6-[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]pyridine-3-carboxylic acid
SMILES	COc1ccc(-c2ccc(C(=O)O)cn2)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/C34H28F6N4O5/c1-18-30(21-12-22(33(35,36)37)15-23(13-21)34(38,39)40)49-32(47)44(18)17-27-24(6-9-29(42-27)43-10-3-11-43)25-14-19(5-8-28(25)48-2)26-7-4-20(16-41-26)31(45)46/h4-9,12-16,18,30H,3,10-11,17H2,1-2H3,(H,45,46)/t18-,30-/m0/s1
InChIKey	UDAYZKDMFXCAPC-PBYQXAPXSA-N
XLogP	7.85
TPSA	105.09 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	686.61
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of UDAYZKDMFXCAPC-PBYQXAPXSA-N (CID 56968954) is 6-[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]pyridine-3-carboxylic acid.

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

The canonical SMILES for UDAYZKDMFXCAPC-PBYQXAPXSA-N is COc1ccc(-c2ccc(C(=O)O)cn2)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 UDAYZKDMFXCAPC-PBYQXAPXSA-N?

The InChIKey is UDAYZKDMFXCAPC-PBYQXAPXSA-N. The full InChI is InChI=1S/C34H28F6N4O5/c1-18-30(21-12-22(33(35,36)37)15-23(13-21)34(38,39)40)49-32(47)44(18)17-27-24(6-9-29(42-27)43-10-3-11-43)25-14-19(5-8-28(25)48-2)26-7-4-20(16-41-26)31(45)46/h4-9,12-16,18,30H,3,10-11,17H2,1-2H3,(H,45,46)/t18-,30-/m0/s1.

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

UDAYZKDMFXCAPC-PBYQXAPXSA-N has a molecular weight of 686.61 g/mol, XLogP of 7.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for UDAYZKDMFXCAPC-PBYQXAPXSA-N is sourced from PubChem (CID 56968954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 56968954 — identifiers, structure, computed properties (public domain)

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