5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one

C23H32N4O2 — CID 45187557

IUPAC5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
SMILESCc1ccc(C2(c3noc(CN(CC4CCC(=O)N4)C(C)C)n3)CCCC2)cc1
InChIInChI=1S/C23H32N4O2/c1-16(2)27(14-19-10-11-20(28)24-19)15-21-25-22(26-29-21)23(12-4-5-13-23)18-8-6-17(3)7-9-18/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,24,28)
InChIKeyGQLJINFHSKDZIO-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.73
Rot. Bonds7

About 5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one

5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one (PubChem CID 45187557) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
PubChem CID45187557
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
SMILESCc1ccc(C2(c3noc(CN(CC4CCC(=O)N4)C(C)C)n3)CCCC2)cc1
InChIInChI=1S/C23H32N4O2/c1-16(2)27(14-19-10-11-20(28)24-19)15-21-25-22(26-29-21)23(12-4-5-13-23)18-8-6-17(3)7-9-18/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,24,28)
InChIKeyGQLJINFHSKDZIO-UHFFFAOYSA-N
XLogP3.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one (CID 45187557) is 5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one is Cc1ccc(C2(c3noc(CN(CC4CCC(=O)N4)C(C)C)n3)CCCC2)cc1.
What is the InChIKey of 5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The InChIKey is GQLJINFHSKDZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16(2)27(14-19-10-11-20(28)24-19)15-21-25-22(26-29-21)23(12-4-5-13-23)18-8-6-17(3)7-9-18/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,24,28).
What are the key properties of 5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one has a molecular weight of 396.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45187557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).