[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone

C18H17ClN4O2 — CID 53138340

IUPAC[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccn1Cc1noc(-c2ccc(Cl)cc2)n1)N1CCCC1
InChIInChI=1S/C18H17ClN4O2/c19-14-7-5-13(6-8-14)17-20-16(21-25-17)12-23-11-3-4-15(23)18(24)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2
InChIKeyVJEOXGSJGQVSBK-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.48
Rot. Bonds4

About [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone

[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53138340) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID53138340
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccn1Cc1noc(-c2ccc(Cl)cc2)n1)N1CCCC1
InChIInChI=1S/C18H17ClN4O2/c19-14-7-5-13(6-8-14)17-20-16(21-25-17)12-23-11-3-4-15(23)18(24)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2
InChIKeyVJEOXGSJGQVSBK-UHFFFAOYSA-N
XLogP3.48
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]methanone
CID 53138332
N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide
CID 95094169
[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 50779143
N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 95094168
(4-methylphenyl)-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 146061253
(S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol
CID 97307458
[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
CID 62020620
(3-fluorophenyl)-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
CID 42879634
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 42692089
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107226
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 50755658

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 53138340) is [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cccn1Cc1noc(-c2ccc(Cl)cc2)n1)N1CCCC1.
What is the InChIKey of [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VJEOXGSJGQVSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-14-7-5-13(6-8-14)17-20-16(21-25-17)12-23-11-3-4-15(23)18(24)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2.
What are the key properties of [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 356.81 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53138340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).