7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide

C19H19ClF3N5O4 — CID 169101498

IUPAC7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)c1cc2cc(Cl)ccn2c1
InChIInChI=1S/C19H19ClF3N5O4/c20-12-3-4-28-10-11(7-14(28)8-12)16(29)25-13-1-2-15(24-9-13)17-26-27-18(32-17)30-5-6-31-19(21,22)23/h3-4,7-8,10,13,15,24H,1-2,5-6,9H2,(H,25,29)/t13-,15+/m0/s1
InChIKeyABTYYIYZSONSRE-DZGCQCFKSA-N
MW473.84 g/mol
LogP3.11
Rot. Bonds7

About 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide

7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide (PubChem CID 169101498) has the molecular formula C19H19ClF3N5O4 and a molecular weight of 473.84 g/mol. Its IUPAC name is 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide
PubChem CID169101498
Molecular FormulaC19H19ClF3N5O4
Molecular Weight473.84 g/mol
Exact Mass473.11
IUPAC Name7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)c1cc2cc(Cl)ccn2c1
InChIInChI=1S/C19H19ClF3N5O4/c20-12-3-4-28-10-11(7-14(28)8-12)16(29)25-13-1-2-15(24-9-13)17-26-27-18(32-17)30-5-6-31-19(21,22)23/h3-4,7-8,10,13,15,24H,1-2,5-6,9H2,(H,25,29)/t13-,15+/m0/s1
InChIKeyABTYYIYZSONSRE-DZGCQCFKSA-N
XLogP3.11
TPSA102.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide
CID 163263691
7-chloro-N-[(3S)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]quinoline-3-carboxamide
CID 175733211
3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 163263667
7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-2H-chromene-3-carboxamide
CID 169101514
2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234235
2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234076
tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 169101506
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-(4,4,4-trifluorobutoxy)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234829
tert-butyl (2S,5R)-5-[(7-chloroquinoline-3-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 169101505
tert-butyl (2S)-5-[(3,4-dimethylbenzoyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 175463441
tert-butyl (2R,5S)-5-[(7-chloro-2H-chromene-3-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 169101518
N-cyclopropylindolizine-2-carboxamide
CID 20974358

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide?
The IUPAC name of 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide (CID 169101498) is 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide?
The canonical SMILES for 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide is O=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)c1cc2cc(Cl)ccn2c1.
What is the InChIKey of 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide?
The InChIKey is ABTYYIYZSONSRE-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H19ClF3N5O4/c20-12-3-4-28-10-11(7-14(28)8-12)16(29)25-13-1-2-15(24-9-13)17-26-27-18(32-17)30-5-6-31-19(21,22)23/h3-4,7-8,10,13,15,24H,1-2,5-6,9H2,(H,25,29)/t13-,15+/m0/s1.
What are the key properties of 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide?
7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide has a molecular weight of 473.84 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide is sourced from PubChem (CID 169101498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).