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

C18H18N4O2 — CID 90564014

IUPAC[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1noc(C2CCCN2C(=O)c2ccc(-n3cccc3)cc2)n1
InChIInChI=1S/C18H18N4O2/c1-13-19-17(24-20-13)16-5-4-12-22(16)18(23)14-6-8-15(9-7-14)21-10-2-3-11-21/h2-3,6-11,16H,4-5,12H2,1H3
InChIKeyOAXGKKXNDSGPLJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.15
Rot. Bonds3

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

[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 90564014) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID90564014
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1noc(C2CCCN2C(=O)c2ccc(-n3cccc3)cc2)n1
InChIInChI=1S/C18H18N4O2/c1-13-19-17(24-20-13)16-5-4-12-22(16)18(23)14-6-8-15(9-7-14)21-10-2-3-11-21/h2-3,6-11,16H,4-5,12H2,1H3
InChIKeyOAXGKKXNDSGPLJ-UHFFFAOYSA-N
XLogP3.15
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-2-one
CID 90564221
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90564141
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90564104
furan-3-yl-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110697
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(pyridin-2-ylsulfanylmethyl)phenyl]methanone
CID 131936197
[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 91783633
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
(4-methyl-3-nitrophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 90564135
[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(6-methylpyridazin-3-yl)phenyl]methanone
CID 119062267
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90564112
(5-bromopyrimidin-2-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 155954695
[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7271165

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 90564014) is [2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is Cc1noc(C2CCCN2C(=O)c2ccc(-n3cccc3)cc2)n1.
What is the InChIKey of [2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is OAXGKKXNDSGPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-19-17(24-20-13)16-5-4-12-22(16)18(23)14-6-8-15(9-7-14)21-10-2-3-11-21/h2-3,6-11,16H,4-5,12H2,1H3.
What are the key properties of [2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 322.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 90564014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).