1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one

C18H23N5O2 — CID 56815339

IUPAC1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one
SMILESCc1ccccc1-c1noc(CN2CCC(N3CCNC3=O)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-4-2-3-5-15(13)17-20-16(25-21-17)12-22-9-6-14(7-10-22)23-11-8-19-18(23)24/h2-5,14H,6-12H2,1H3,(H,19,24)
InChIKeyJDPGKHZIGQJHGZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.03
Rot. Bonds4

About 1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56815339) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56815339
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one
SMILESCc1ccccc1-c1noc(CN2CCC(N3CCNC3=O)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-4-2-3-5-15(13)17-20-16(25-21-17)12-22-9-6-14(7-10-22)23-11-8-19-18(23)24/h2-5,14H,6-12H2,1H3,(H,19,24)
InChIKeyJDPGKHZIGQJHGZ-UHFFFAOYSA-N
XLogP2.03
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one (CID 56815339) is 1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one is Cc1ccccc1-c1noc(CN2CCC(N3CCNC3=O)CC2)n1.
What is the InChIKey of 1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is JDPGKHZIGQJHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-4-2-3-5-15(13)17-20-16(25-21-17)12-22-9-6-14(7-10-22)23-11-8-19-18(23)24/h2-5,14H,6-12H2,1H3,(H,19,24).
What are the key properties of 1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56815339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).