1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

C17H20F2N4O2 — CID 171632402

IUPAC1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
SMILESCC(Nc1nnc(-c2ccccc2)o1)C(=O)N1CCC(CC(F)F)C1
InChIInChI=1S/C17H20F2N4O2/c1-11(16(24)23-8-7-12(10-23)9-14(18)19)20-17-22-21-15(25-17)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,20,22)
InChIKeyCQHPRBOJOMJHMH-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.04
Rot. Bonds6

About 1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (PubChem CID 171632402) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
PubChem CID171632402
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
SMILESCC(Nc1nnc(-c2ccccc2)o1)C(=O)N1CCC(CC(F)F)C1
InChIInChI=1S/C17H20F2N4O2/c1-11(16(24)23-8-7-12(10-23)9-14(18)19)20-17-22-21-15(25-17)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,20,22)
InChIKeyCQHPRBOJOMJHMH-UHFFFAOYSA-N
XLogP3.04
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The IUPAC name of 1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (CID 171632402) is 1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The canonical SMILES for 1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is CC(Nc1nnc(-c2ccccc2)o1)C(=O)N1CCC(CC(F)F)C1.
What is the InChIKey of 1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The InChIKey is CQHPRBOJOMJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-11(16(24)23-8-7-12(10-23)9-14(18)19)20-17-22-21-15(25-17)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,20,22).
What are the key properties of 1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one has a molecular weight of 350.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is sourced from PubChem (CID 171632402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).