(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide

C23H22F6N4O4 — CID 129273426

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESC[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C23H22F6N4O4/c1-13-18(15-9-16(22(24,25)26)11-17(10-15)23(27,28)29)37-21(35)33(13)20(34)31-12-14-3-2-4-30-19(14)32-5-7-36-8-6-32/h2-4,9-11,13,18H,5-8,12H2,1H3,(H,31,34)/t13-,18-/m0/s1
InChIKeyONOROKMQROUNKE-UGSOOPFHSA-N
MW532.44 g/mol
LogP4.75
Rot. Bonds4

About (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129273426) has the molecular formula C23H22F6N4O4 and a molecular weight of 532.44 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID129273426
Molecular FormulaC23H22F6N4O4
Molecular Weight532.44 g/mol
Exact Mass532.15
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESC[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C23H22F6N4O4/c1-13-18(15-9-16(22(24,25)26)11-17(10-15)23(27,28)29)37-21(35)33(13)20(34)31-12-14-3-2-4-30-19(14)32-5-7-36-8-6-32/h2-4,9-11,13,18H,5-8,12H2,1H3,(H,31,34)/t13-,18-/m0/s1
InChIKeyONOROKMQROUNKE-UGSOOPFHSA-N
XLogP4.75
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129273426) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide is C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is ONOROKMQROUNKE-UGSOOPFHSA-N. The full InChI is InChI=1S/C23H22F6N4O4/c1-13-18(15-9-16(22(24,25)26)11-17(10-15)23(27,28)29)37-21(35)33(13)20(34)31-12-14-3-2-4-30-19(14)32-5-7-36-8-6-32/h2-4,9-11,13,18H,5-8,12H2,1H3,(H,31,34)/t13-,18-/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 532.44 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).