PLCVOHQQUSDRQE-ADSBAMQRSA-N

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

C₃₆H₃₀F₈N₄O₅ — CID 118030754

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

IUPAC4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3,5-dimethylbenzoic acid

SMILESCOc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1cnc(N2CC(F)(F)C2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C

InChIInChI=1S/C36H30F8N4O5/c1-17-5-21(32(49)50)6-18(2)29(17)22-9-26(31(52-4)46-12-22)27-13-45-28(47-15-34(37,38)16-47)10-23(27)14-48-19(3)30(53-33(48)51)20-7-24(35(39,40)41)11-25(8-20)36(42,43)44/h5-13,19,30H,14-16H2,1-4H3,(H,49,50)/t19-,30-/m0/s1

InChIKeyPLCVOHQQUSDRQE-ADSBAMQRSA-N

MW750.64 g/mol

LogP8.71

Rot. Bonds8

About PLCVOHQQUSDRQE-ADSBAMQRSA-N

PLCVOHQQUSDRQE-ADSBAMQRSA-N (PubChem CID 118030754) has the molecular formula C₃₆H₃₀F₈N₄O₅ and a molecular weight of 750.64 g/mol. Its IUPAC name is 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name	PLCVOHQQUSDRQE-ADSBAMQRSA-N
PubChem CID	118030754
Molecular Formula	C₃₆H₃₀F₈N₄O₅
Molecular Weight	750.64 g/mol
Exact Mass	750.21
IUPAC Name	4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3,5-dimethylbenzoic acid
SMILES	COc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1cnc(N2CC(F)(F)C2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChI	InChI=1S/C36H30F8N4O5/c1-17-5-21(32(49)50)6-18(2)29(17)22-9-26(31(52-4)46-12-22)27-13-45-28(47-15-34(37,38)16-47)10-23(27)14-48-19(3)30(53-33(48)51)20-7-24(35(39,40)41)11-25(8-20)36(42,43)44/h5-13,19,30H,14-16H2,1-4H3,(H,49,50)/t19-,30-/m0/s1
InChIKey	PLCVOHQQUSDRQE-ADSBAMQRSA-N
XLogP	8.71
TPSA	105.09 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	53
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.64
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of PLCVOHQQUSDRQE-ADSBAMQRSA-N?

The IUPAC name of PLCVOHQQUSDRQE-ADSBAMQRSA-N (CID 118030754) is 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3,5-dimethylbenzoic acid.

What is the SMILES notation for PLCVOHQQUSDRQE-ADSBAMQRSA-N?

The canonical SMILES for PLCVOHQQUSDRQE-ADSBAMQRSA-N is COc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1cnc(N2CC(F)(F)C2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.

What is the InChIKey of PLCVOHQQUSDRQE-ADSBAMQRSA-N?

The InChIKey is PLCVOHQQUSDRQE-ADSBAMQRSA-N. The full InChI is InChI=1S/C36H30F8N4O5/c1-17-5-21(32(49)50)6-18(2)29(17)22-9-26(31(52-4)46-12-22)27-13-45-28(47-15-34(37,38)16-47)10-23(27)14-48-19(3)30(53-33(48)51)20-7-24(35(39,40)41)11-25(8-20)36(42,43)44/h5-13,19,30H,14-16H2,1-4H3,(H,49,50)/t19-,30-/m0/s1.

What are the key properties of PLCVOHQQUSDRQE-ADSBAMQRSA-N?

PLCVOHQQUSDRQE-ADSBAMQRSA-N has a molecular weight of 750.64 g/mol, XLogP of 8.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for PLCVOHQQUSDRQE-ADSBAMQRSA-N is sourced from PubChem (CID 118030754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118030754 — identifiers, structure, computed properties (public domain)

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