(2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide

C36H40F6N6O6 — CID 159688405

IUPAC(2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide
SMILESCC(C)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)[C@@H]1CCCO1.CC(C)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)[C@H]1CCCO1
InChIInChI=1S/2C18H20F3N3O3/c2*1-11(2)24(16(25)14-4-3-9-26-14)10-12-5-7-13(8-6-12)15-22-17(27-23-15)18(19,20)21/h2*5-8,11,14H,3-4,9-10H2,1-2H3/t2*14-/m10/s1
InChIKeyMWCCTICSQVIWPB-IKFJUQJOSA-N
MW766.74 g/mol
LogP7.34
Rot. Bonds10

About (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide

(2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide (PubChem CID 159688405) has the molecular formula C36H40F6N6O6 and a molecular weight of 766.74 g/mol. Its IUPAC name is (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide
PubChem CID159688405
Molecular FormulaC36H40F6N6O6
Molecular Weight766.74 g/mol
Exact Mass766.29
IUPAC Name(2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide
SMILESCC(C)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)[C@@H]1CCCO1.CC(C)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)[C@H]1CCCO1
InChIInChI=1S/2C18H20F3N3O3/c2*1-11(2)24(16(25)14-4-3-9-26-14)10-12-5-7-13(8-6-12)15-22-17(27-23-15)18(19,20)21/h2*5-8,11,14H,3-4,9-10H2,1-2H3/t2*14-/m10/s1
InChIKeyMWCCTICSQVIWPB-IKFJUQJOSA-N
XLogP7.34
TPSA136.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.74
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide (CID 159688405) is (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide is CC(C)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)[C@@H]1CCCO1.CC(C)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)[C@H]1CCCO1.
What is the InChIKey of (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is MWCCTICSQVIWPB-IKFJUQJOSA-N. The full InChI is InChI=1S/2C18H20F3N3O3/c2*1-11(2)24(16(25)14-4-3-9-26-14)10-12-5-7-13(8-6-12)15-22-17(27-23-15)18(19,20)21/h2*5-8,11,14H,3-4,9-10H2,1-2H3/t2*14-/m10/s1.
What are the key properties of (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide?
(2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 766.74 g/mol, XLogP of 7.34, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide;(2R)-N-propan-2-yl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 159688405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).