(4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one

C14H12ClF2N3O2 — CID 142493816

IUPAC(4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one
SMILESCc1nnc(CN2C[C@@H](c3c(F)cc(Cl)cc3F)CC2=O)o1
InChIInChI=1S/C14H12ClF2N3O2/c1-7-18-19-12(22-7)6-20-5-8(2-13(20)21)14-10(16)3-9(15)4-11(14)17/h3-4,8H,2,5-6H2,1H3/t8-/m0/s1
InChIKeySOKSVIWMUIEUEM-QMMMGPOBSA-N
MW327.72 g/mol
LogP2.83
Rot. Bonds3

About (4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one

(4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one (PubChem CID 142493816) has the molecular formula C14H12ClF2N3O2 and a molecular weight of 327.72 g/mol. Its IUPAC name is (4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one
PubChem CID142493816
Molecular FormulaC14H12ClF2N3O2
Molecular Weight327.72 g/mol
Exact Mass327.06
IUPAC Name(4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one
SMILESCc1nnc(CN2C[C@@H](c3c(F)cc(Cl)cc3F)CC2=O)o1
InChIInChI=1S/C14H12ClF2N3O2/c1-7-18-19-12(22-7)6-20-5-8(2-13(20)21)14-10(16)3-9(15)4-11(14)17/h3-4,8H,2,5-6H2,1H3/t8-/m0/s1
InChIKeySOKSVIWMUIEUEM-QMMMGPOBSA-N
XLogP2.83
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one (CID 142493816) is (4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one is Cc1nnc(CN2C[C@@H](c3c(F)cc(Cl)cc3F)CC2=O)o1.
What is the InChIKey of (4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is SOKSVIWMUIEUEM-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H12ClF2N3O2/c1-7-18-19-12(22-7)6-20-5-8(2-13(20)21)14-10(16)3-9(15)4-11(14)17/h3-4,8H,2,5-6H2,1H3/t8-/m0/s1.
What are the key properties of (4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one?
(4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 327.72 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chloro-2,6-difluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 142493816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).