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

C15H20N4O2 — CID 106408291

IUPAC3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCc2noc(C)n2)cc1C
InChIInChI=1S/C15H20N4O2/c1-4-7-16-13-6-5-12(8-10(13)2)15(20)17-9-14-18-11(3)21-19-14/h5-6,8,16H,4,7,9H2,1-3H3,(H,17,20)
InChIKeyFONPZZCNLAQFGJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.44
Rot. Bonds6

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

3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide (PubChem CID 106408291) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
PubChem CID106408291
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCc2noc(C)n2)cc1C
InChIInChI=1S/C15H20N4O2/c1-4-7-16-13-6-5-12(8-10(13)2)15(20)17-9-14-18-11(3)21-19-14/h5-6,8,16H,4,7,9H2,1-3H3,(H,17,20)
InChIKeyFONPZZCNLAQFGJ-UHFFFAOYSA-N
XLogP2.44
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106409151
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106422861
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
CID 63283692
4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide
CID 106409218
3,5-dihydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 103892543
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409201
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide?
The IUPAC name of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide (CID 106408291) is 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide?
The canonical SMILES for 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCc2noc(C)n2)cc1C.
What is the InChIKey of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide?
The InChIKey is FONPZZCNLAQFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-7-16-13-6-5-12(8-10(13)2)15(20)17-9-14-18-11(3)21-19-14/h5-6,8,16H,4,7,9H2,1-3H3,(H,17,20).
What are the key properties of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide?
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide is sourced from PubChem (CID 106408291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).