N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide

C13H16N4O2 — CID 106402474

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCc1ncon1
InChIInChI=1S/C13H16N4O2/c1-2-7-14-11-6-4-3-5-10(11)13(18)15-8-12-16-9-19-17-12/h3-6,9,14H,2,7-8H2,1H3,(H,15,18)
InChIKeyKFFFSAHLFVOUGK-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.82
Rot. Bonds6

About N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide

N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide (PubChem CID 106402474) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
PubChem CID106402474
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCc1ncon1
InChIInChI=1S/C13H16N4O2/c1-2-7-14-11-6-4-3-5-10(11)13(18)15-8-12-16-9-19-17-12/h3-6,9,14H,2,7-8H2,1H3,(H,15,18)
InChIKeyKFFFSAHLFVOUGK-UHFFFAOYSA-N
XLogP1.82
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 106408427
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
3-(ethylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408519
2-(1,2,4-oxadiazol-3-ylmethylamino)benzoic acid
CID 106400670
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
CID 62179332
N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide
CID 62841224
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide
CID 106408572
3-(methylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408432
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
3,6-dimethyl-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)benzoic acid
CID 106394631

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide (CID 106402474) is N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide?
The InChIKey is KFFFSAHLFVOUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-7-14-11-6-4-3-5-10(11)13(18)15-8-12-16-9-19-17-12/h3-6,9,14H,2,7-8H2,1H3,(H,15,18).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide?
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide has a molecular weight of 260.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide is sourced from PubChem (CID 106402474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).