4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide

C18H23N5O2 — CID 56791033

IUPAC4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C18H23N5O2/c1-13-4-2-3-5-15(13)19-18(24)23-10-8-22(9-11-23)12-16-20-17(25-21-16)14-6-7-14/h2-5,14H,6-12H2,1H3,(H,19,24)
InChIKeyHWNVMZBOCQKMFO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.61
Rot. Bonds4

About 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 56791033) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID56791033
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C18H23N5O2/c1-13-4-2-3-5-15(13)19-18(24)23-10-8-22(9-11-23)12-16-20-17(25-21-16)14-6-7-14/h2-5,14H,6-12H2,1H3,(H,19,24)
InChIKeyHWNVMZBOCQKMFO-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide (CID 56791033) is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(Cc2noc(C3CC3)n2)CC1.
What is the InChIKey of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is HWNVMZBOCQKMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-4-2-3-5-15(13)19-18(24)23-10-8-22(9-11-23)12-16-20-17(25-21-16)14-6-7-14/h2-5,14H,6-12H2,1H3,(H,19,24).
What are the key properties of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56791033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).