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

C15H20N4O2 — CID 106409151

IUPAC3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCc2ncon2)cc1C
InChIInChI=1S/C15H20N4O2/c1-3-7-16-13-5-4-12(9-11(13)2)15(20)17-8-6-14-18-10-21-19-14/h4-5,9-10,16H,3,6-8H2,1-2H3,(H,17,20)
InChIKeyYTDSCCBJWKMVLD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.17
Rot. Bonds7

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

3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide (PubChem CID 106409151) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
PubChem CID106409151
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCc2ncon2)cc1C
InChIInChI=1S/C15H20N4O2/c1-3-7-16-13-5-4-12(9-11(13)2)15(20)17-8-6-14-18-10-21-19-14/h4-5,9-10,16H,3,6-8H2,1-2H3,(H,17,20)
InChIKeyYTDSCCBJWKMVLD-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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408880
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
CID 106408291
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
CID 63283692
2-(ethylamino)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409041
3-amino-4-(dimethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106391732
5-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106406192
3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182830
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106393963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide?
The IUPAC name of 3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide (CID 106409151) is 3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide.
What is the SMILES notation for 3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide?
The canonical SMILES for 3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCCc2ncon2)cc1C.
What is the InChIKey of 3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide?
The InChIKey is YTDSCCBJWKMVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-7-16-13-5-4-12(9-11(13)2)15(20)17-8-6-14-18-10-21-19-14/h4-5,9-10,16H,3,6-8H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide?
3-methyl-N-[2-(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 3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide is sourced from PubChem (CID 106409151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).