N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide

C18H25N5O2 — CID 86912395

IUPACN-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H25N5O2/c1-2-19-18(24)23-13-11-22(12-14-23)10-6-9-16-20-17(21-25-16)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,19,24)
InChIKeyKPMCMLKOQZGHRZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.02
Rot. Bonds6

About N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide

N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide (PubChem CID 86912395) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide
PubChem CID86912395
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H25N5O2/c1-2-19-18(24)23-13-11-22(12-14-23)10-6-9-16-20-17(21-25-16)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,19,24)
InChIKeyKPMCMLKOQZGHRZ-UHFFFAOYSA-N
XLogP2.02
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid
CID 119907371
1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55621672
2-(methylamino)-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]ethanone
CID 120703681
3-phenyl-5-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1,2,4-oxadiazole
CID 52544370
5-[3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 55446107
5-[(4-octylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
CID 155566908
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
3-methyl-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55652242
1-(4-methylphenyl)-4-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butane-1,4-dione
CID 55647099
(E)-N-[1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 55652269
4-(2-ethoxyphenoxy)-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55652220

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide (CID 86912395) is N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(CCCc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide?
The InChIKey is KPMCMLKOQZGHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-19-18(24)23-13-11-22(12-14-23)10-6-9-16-20-17(21-25-16)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,19,24).
What are the key properties of N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide?
N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 86912395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).