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

C20H20ClF3N4O5 — CID 169101514

IUPAC7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-2H-chromene-3-carboxamide
SMILESO=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)C1=Cc2ccc(Cl)cc2OC1
InChIInChI=1S/C20H20ClF3N4O5/c21-13-2-1-11-7-12(10-31-16(11)8-13)17(29)26-14-3-4-15(25-9-14)18-27-28-19(33-18)30-5-6-32-20(22,23)24/h1-2,7-8,14-15,25H,3-6,9-10H2,(H,26,29)/t14-,15+/m0/s1
InChIKeyOURXQIJXYSUWAW-LSDHHAIUSA-N
MW488.85 g/mol
LogP3.02
Rot. Bonds7

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

7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-2H-chromene-3-carboxamide (PubChem CID 169101514) has the molecular formula C20H20ClF3N4O5 and a molecular weight of 488.85 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]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-2H-chromene-3-carboxamide
PubChem CID169101514
Molecular FormulaC20H20ClF3N4O5
Molecular Weight488.85 g/mol
Exact Mass488.11
IUPAC Name7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-2H-chromene-3-carboxamide
SMILESO=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)C1=Cc2ccc(Cl)cc2OC1
InChIInChI=1S/C20H20ClF3N4O5/c21-13-2-1-11-7-12(10-31-16(11)8-13)17(29)26-14-3-4-15(25-9-14)18-27-28-19(33-18)30-5-6-32-20(22,23)24/h1-2,7-8,14-15,25H,3-6,9-10H2,(H,26,29)/t14-,15+/m0/s1
InChIKeyOURXQIJXYSUWAW-LSDHHAIUSA-N
XLogP3.02
TPSA107.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.85
LogP ≤ 53.02
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
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
7-chloro-N-[(3S)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]quinoline-3-carboxamide
CID 175733211
7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide
CID 169101498
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
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 (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;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 175746323
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
6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride
CID 119454003
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
tert-butyl (2S)-5-[(3,4-dimethylbenzoyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 175463441

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]-2H-chromene-3-carboxamide?
The IUPAC name of 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) is 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-2H-chromene-3-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]-2H-chromene-3-carboxamide?
The canonical SMILES for 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-2H-chromene-3-carboxamide is O=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)C1=Cc2ccc(Cl)cc2OC1.
What is the InChIKey of 7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-2H-chromene-3-carboxamide?
The InChIKey is OURXQIJXYSUWAW-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H20ClF3N4O5/c21-13-2-1-11-7-12(10-31-16(11)8-13)17(29)26-14-3-4-15(25-9-14)18-27-28-19(33-18)30-5-6-32-20(22,23)24/h1-2,7-8,14-15,25H,3-6,9-10H2,(H,26,29)/t14-,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]-2H-chromene-3-carboxamide?
7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-2H-chromene-3-carboxamide has a molecular weight of 488.85 g/mol, XLogP of 3.02, 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]-2H-chromene-3-carboxamide is sourced from PubChem (CID 169101514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).