N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide

C15H20N4O2 — CID 106422861

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCc2noc(C)n2)cc1
InChIInChI=1S/C15H20N4O2/c1-3-9-16-13-6-4-12(5-7-13)15(20)17-10-8-14-18-11(2)21-19-14/h4-7,16H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyOBKZQGXZVLHFGF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.17
Rot. Bonds7

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide (PubChem CID 106422861) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
PubChem CID106422861
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCc2noc(C)n2)cc1
InChIInChI=1S/C15H20N4O2/c1-3-9-16-13-6-4-12(5-7-13)15(20)17-10-8-14-18-11(2)21-19-14/h4-7,16H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyOBKZQGXZVLHFGF-UHFFFAOYSA-N
XLogP2.17
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106415935
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413272
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114186911
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
CID 106408291
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
3-chloro-4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103736148
4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409201
N-pentyl-4-(propylamino)benzamide
CID 62185567
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
3-amino-5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413224

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide (CID 106422861) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCCc2noc(C)n2)cc1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide?
The InChIKey is OBKZQGXZVLHFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-9-16-13-6-4-12(5-7-13)15(20)17-10-8-14-18-11(2)21-19-14/h4-7,16H,3,8-10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide is sourced from PubChem (CID 106422861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).