(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C20H17F3N4O2 — CID 162666511

IUPAC(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)14-8-10-15(11-9-14)24-19(28)27-12-4-7-16(27)18-25-17(26-29-18)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,24,28)/t16-/m0/s1
InChIKeyCNBLISVPFJNSMS-INIZCTEOSA-N
MW402.38 g/mol
LogP5.12
Rot. Bonds3

About (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 162666511) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID162666511
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)14-8-10-15(11-9-14)24-19(28)27-12-4-7-16(27)18-25-17(26-29-18)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,24,28)/t16-/m0/s1
InChIKeyCNBLISVPFJNSMS-INIZCTEOSA-N
XLogP5.12
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.38
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 162666511) is (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is CNBLISVPFJNSMS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c21-20(22,23)14-8-10-15(11-9-14)24-19(28)27-12-4-7-16(27)18-25-17(26-29-18)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,24,28)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 402.38 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 162666511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).