(2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

C19H17F3N6O3 — CID 147449714

IUPAC(2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](c2ccc(Oc3nnnn3-c3ccccc3OC(F)(F)F)cc2)N1
InChIInChI=1S/C19H17F3N6O3/c20-19(21,22)31-16-4-2-1-3-15(16)28-18(25-26-27-28)30-12-7-5-11(6-8-12)13-9-10-14(24-13)17(23)29/h1-8,13-14,24H,9-10H2,(H2,23,29)/t13-,14+/m1/s1
InChIKeyDXVASMAZUVUUIZ-KGLIPLIRSA-N
MW434.38 g/mol
LogP2.63
Rot. Bonds6

About (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

(2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide (PubChem CID 147449714) has the molecular formula C19H17F3N6O3 and a molecular weight of 434.38 g/mol. Its IUPAC name is (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
PubChem CID147449714
Molecular FormulaC19H17F3N6O3
Molecular Weight434.38 g/mol
Exact Mass434.13
IUPAC Name(2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](c2ccc(Oc3nnnn3-c3ccccc3OC(F)(F)F)cc2)N1
InChIInChI=1S/C19H17F3N6O3/c20-19(21,22)31-16-4-2-1-3-15(16)28-18(25-26-27-28)30-12-7-5-11(6-8-12)13-9-10-14(24-13)17(23)29/h1-8,13-14,24H,9-10H2,(H2,23,29)/t13-,14+/m1/s1
InChIKeyDXVASMAZUVUUIZ-KGLIPLIRSA-N
XLogP2.63
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide (CID 147449714) is (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CC[C@H](c2ccc(Oc3nnnn3-c3ccccc3OC(F)(F)F)cc2)N1.
What is the InChIKey of (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The InChIKey is DXVASMAZUVUUIZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H17F3N6O3/c20-19(21,22)31-16-4-2-1-3-15(16)28-18(25-26-27-28)30-12-7-5-11(6-8-12)13-9-10-14(24-13)17(23)29/h1-8,13-14,24H,9-10H2,(H2,23,29)/t13-,14+/m1/s1.
What are the key properties of (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
(2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide has a molecular weight of 434.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[4-[1-[2-(trifluoromethoxy)phenyl]tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 147449714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).