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

C18H23N5O2 — CID 56787579

IUPAC4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-13-3-2-4-15(11-13)19-18(24)23-9-7-22(8-10-23)12-16-20-17(25-21-16)14-5-6-14/h2-4,11,14H,5-10,12H2,1H3,(H,19,24)
InChIKeyNMGSIJYBASTMDE-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.61
Rot. Bonds4

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

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 56787579) 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-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID56787579
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-13-3-2-4-15(11-13)19-18(24)23-9-7-22(8-10-23)12-16-20-17(25-21-16)14-5-6-14/h2-4,11,14H,5-10,12H2,1H3,(H,19,24)
InChIKeyNMGSIJYBASTMDE-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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Related Compounds

1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50994137
2-ethyl-N-[4-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)-phenylmethyl]piperazin-1-yl]-3-fluorophenyl]butanamide
CID 68873961
3-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidine-1-carboxylic acid o-tolylamide
CID 649114
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 3225915
3-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidine-1-carboxylic acid p-tolylamide
CID 3225916
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 3238119
1-{3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3239449
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3242385
N-[4-(Propan-2-YL)phenyl]-1-{3-[4-(propan-2-YL)phenyl]-1,2,4-oxadiazol-5-YL}piperidine-4-carboxamide
CID 16030654
1-[4-(2,5-Dimethylphenyl)piperazino]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 25241706
(3,4-dihydroquinolin-1(2H)-yl)(4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 54580342
US11066396, Example 182
CID 132257987

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide (CID 56787579) is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)c1.
What is the InChIKey of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is NMGSIJYBASTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-3-2-4-15(11-13)19-18(24)23-9-7-22(8-10-23)12-16-20-17(25-21-16)14-5-6-14/h2-4,11,14H,5-10,12H2,1H3,(H,19,24).
What are the key properties of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-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-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56787579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).