2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole

C19H18ClN3O — CID 43913168

IUPAC2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESClc1cccc(-c2nnc(CN3CCC(c4ccccc4)C3)o2)c1
InChIInChI=1S/C19H18ClN3O/c20-17-8-4-7-15(11-17)19-22-21-18(24-19)13-23-10-9-16(12-23)14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2
InChIKeyUKYITLHUZWOWIN-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.38
Rot. Bonds4

About 2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole

2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 43913168) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID43913168
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESClc1cccc(-c2nnc(CN3CCC(c4ccccc4)C3)o2)c1
InChIInChI=1S/C19H18ClN3O/c20-17-8-4-7-15(11-17)19-22-21-18(24-19)13-23-10-9-16(12-23)14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2
InChIKeyUKYITLHUZWOWIN-UHFFFAOYSA-N
XLogP4.38
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913162
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-(3-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 22432336
2-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3,4-oxadiazole
CID 22432333
3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 29084359
N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide
CID 118173534
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 39347320
2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 86773571
4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898257
(3S)-1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123204

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole (CID 43913168) is 2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole is Clc1cccc(-c2nnc(CN3CCC(c4ccccc4)C3)o2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is UKYITLHUZWOWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-17-8-4-7-15(11-17)19-22-21-18(24-19)13-23-10-9-16(12-23)14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2.
What are the key properties of 2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 339.83 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 43913168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).