2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide

C16H22N4O2 — CID 166250559

IUPAC2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
SMILESCCNC(C)C(=O)NCC(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H22N4O2/c1-4-17-12(3)15(21)18-10-11(2)16-19-14(20-22-16)13-8-6-5-7-9-13/h5-9,11-12,17H,4,10H2,1-3H3,(H,18,21)
InChIKeyPTEDADOSHOVAEU-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.95
Rot. Bonds7

About 2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide

2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide (PubChem CID 166250559) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
PubChem CID166250559
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
SMILESCCNC(C)C(=O)NCC(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H22N4O2/c1-4-17-12(3)15(21)18-10-11(2)16-19-14(20-22-16)13-8-6-5-7-9-13/h5-9,11-12,17H,4,10H2,1-3H3,(H,18,21)
InChIKeyPTEDADOSHOVAEU-UHFFFAOYSA-N
XLogP1.95
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 97068058
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 97074910
2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 167962986
5-chloro-2-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123379
3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 97098367
3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123390
2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 146127465
5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146152193
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62851902
N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
CID 71377168
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345367

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The IUPAC name of 2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide (CID 166250559) is 2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide is CCNC(C)C(=O)NCC(C)c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The InChIKey is PTEDADOSHOVAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-17-12(3)15(21)18-10-11(2)16-19-14(20-22-16)13-8-6-5-7-9-13/h5-9,11-12,17H,4,10H2,1-3H3,(H,18,21).
What are the key properties of 2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide is sourced from PubChem (CID 166250559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).