3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide

C19H20ClF3N4O3 — CID 167268134

IUPAC3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide
SMILESC=C(CCNC(=O)CCc1ccc(Cl)cn1)c1nnc(C2CC(OC(F)(F)F)C2)o1
InChIInChI=1S/C19H20ClF3N4O3/c1-11(6-7-24-16(28)5-4-14-3-2-13(20)10-25-14)17-26-27-18(29-17)12-8-15(9-12)30-19(21,22)23/h2-3,10,12,15H,1,4-9H2,(H,24,28)
InChIKeySHEHBTDNVBTVAP-UHFFFAOYSA-N
MW444.84 g/mol
LogP4.05
Rot. Bonds9

About 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide

3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide (PubChem CID 167268134) has the molecular formula C19H20ClF3N4O3 and a molecular weight of 444.84 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide
PubChem CID167268134
Molecular FormulaC19H20ClF3N4O3
Molecular Weight444.84 g/mol
Exact Mass444.12
IUPAC Name3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide
SMILESC=C(CCNC(=O)CCc1ccc(Cl)cn1)c1nnc(C2CC(OC(F)(F)F)C2)o1
InChIInChI=1S/C19H20ClF3N4O3/c1-11(6-7-24-16(28)5-4-14-3-2-13(20)10-25-14)17-26-27-18(29-17)12-8-15(9-12)30-19(21,22)23/h2-3,10,12,15H,1,4-9H2,(H,24,28)
InChIKeySHEHBTDNVBTVAP-UHFFFAOYSA-N
XLogP4.05
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide (CID 167268134) is 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide is C=C(CCNC(=O)CCc1ccc(Cl)cn1)c1nnc(C2CC(OC(F)(F)F)C2)o1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide?
The InChIKey is SHEHBTDNVBTVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O3/c1-11(6-7-24-16(28)5-4-14-3-2-13(20)10-25-14)17-26-27-18(29-17)12-8-15(9-12)30-19(21,22)23/h2-3,10,12,15H,1,4-9H2,(H,24,28).
What are the key properties of 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide?
3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide has a molecular weight of 444.84 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]propanamide is sourced from PubChem (CID 167268134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).