(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one

C14H13Cl2N3O2 — CID 129471642

IUPAC(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@H](c2nc(Cc3c(Cl)cccc3Cl)no2)CC1=O
InChIInChI=1S/C14H13Cl2N3O2/c1-19-7-8(5-13(19)20)14-17-12(18-21-14)6-9-10(15)3-2-4-11(9)16/h2-4,8H,5-7H2,1H3/t8-/m1/s1
InChIKeyTZOJTYULPVFWPI-MRVPVSSYSA-N
MW326.18 g/mol
LogP2.91
Rot. Bonds3

About (4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one

(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one (PubChem CID 129471642) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is (4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
PubChem CID129471642
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@H](c2nc(Cc3c(Cl)cccc3Cl)no2)CC1=O
InChIInChI=1S/C14H13Cl2N3O2/c1-19-7-8(5-13(19)20)14-17-12(18-21-14)6-9-10(15)3-2-4-11(9)16/h2-4,8H,5-7H2,1H3/t8-/m1/s1
InChIKeyTZOJTYULPVFWPI-MRVPVSSYSA-N
XLogP2.91
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743359
5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436114
4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 119039342
(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 125137770
1-(4-chlorophenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 120868638
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 22110781
(3R,5R)-5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912230
3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474109
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 99130341
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pentan-3-ylpyrrolidin-2-one
CID 99130333
7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61495325
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 93492650

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one (CID 129471642) is (4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one is CN1C[C@H](c2nc(Cc3c(Cl)cccc3Cl)no2)CC1=O.
What is the InChIKey of (4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one?
The InChIKey is TZOJTYULPVFWPI-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-19-7-8(5-13(19)20)14-17-12(18-21-14)6-9-10(15)3-2-4-11(9)16/h2-4,8H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one?
(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one has a molecular weight of 326.18 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 129471642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).