(3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

C20H18ClN3O3 — CID 91906365

IUPAC(3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H18ClN3O3/c1-26-16-9-7-13(8-10-16)18-22-19(27-23-18)17-6-3-11-24(17)20(25)14-4-2-5-15(21)12-14/h2,4-5,7-10,12,17H,3,6,11H2,1H3/t17-/m0/s1
InChIKeyZFUXBXVOYKCSEQ-KRWDZBQOSA-N
MW383.84 g/mol
LogP4.38
Rot. Bonds4

About (3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

(3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 91906365) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is (3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID91906365
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name(3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H18ClN3O3/c1-26-16-9-7-13(8-10-16)18-22-19(27-23-18)17-6-3-11-24(17)20(25)14-4-2-5-15(21)12-14/h2,4-5,7-10,12,17H,3,6,11H2,1H3/t17-/m0/s1
InChIKeyZFUXBXVOYKCSEQ-KRWDZBQOSA-N
XLogP4.38
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (CID 91906365) is (3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of (3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ZFUXBXVOYKCSEQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-26-16-9-7-13(8-10-16)18-22-19(27-23-18)17-6-3-11-24(17)20(25)14-4-2-5-15(21)12-14/h2,4-5,7-10,12,17H,3,6,11H2,1H3/t17-/m0/s1.
What are the key properties of (3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
(3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 383.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91906365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).