(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide

C22H19F6N3O3 — CID 129273625

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-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)NCc1cnc2c(c1)CCC2
InChIInChI=1S/C22H19F6N3O3/c1-11-18(14-6-15(21(23,24)25)8-16(7-14)22(26,27)28)34-20(33)31(11)19(32)30-10-12-5-13-3-2-4-17(13)29-9-12/h5-9,11,18H,2-4,10H2,1H3,(H,30,32)/t11-,18-/m0/s1
InChIKeyYJXYZUWDEKZPAP-VOJFVSQTSA-N
MW487.40 g/mol
LogP5.40
Rot. Bonds3

About (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129273625) has the molecular formula C22H19F6N3O3 and a molecular weight of 487.40 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID129273625
Molecular FormulaC22H19F6N3O3
Molecular Weight487.40 g/mol
Exact Mass487.13
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-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)NCc1cnc2c(c1)CCC2
InChIInChI=1S/C22H19F6N3O3/c1-11-18(14-6-15(21(23,24)25)8-16(7-14)22(26,27)28)34-20(33)31(11)19(32)30-10-12-5-13-3-2-4-17(13)29-9-12/h5-9,11,18H,2-4,10H2,1H3,(H,30,32)/t11-,18-/m0/s1
InChIKeyYJXYZUWDEKZPAP-VOJFVSQTSA-N
XLogP5.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-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]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129273625) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-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)NCc1cnc2c(c1)CCC2.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is YJXYZUWDEKZPAP-VOJFVSQTSA-N. The full InChI is InChI=1S/C22H19F6N3O3/c1-11-18(14-6-15(21(23,24)25)8-16(7-14)22(26,27)28)34-20(33)31(11)19(32)30-10-12-5-13-3-2-4-17(13)29-9-12/h5-9,11,18H,2-4,10H2,1H3,(H,30,32)/t11-,18-/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 487.40 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).