4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide

C13H16N4O2 — CID 62687239

IUPAC4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCC(NC(=O)c1nonc1N)c1ccc(C)cc1
InChIInChI=1S/C13H16N4O2/c1-3-10(9-6-4-8(2)5-7-9)15-13(18)11-12(14)17-19-16-11/h4-7,10H,3H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyJVNFVKHPVLYHOO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.84
Rot. Bonds4

About 4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687239) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687239
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCC(NC(=O)c1nonc1N)c1ccc(C)cc1
InChIInChI=1S/C13H16N4O2/c1-3-10(9-6-4-8(2)5-7-9)15-13(18)11-12(14)17-19-16-11/h4-7,10H,3H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyJVNFVKHPVLYHOO-UHFFFAOYSA-N
XLogP1.84
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(1R)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606094
4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606092
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 94548469
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
ethyl 2,4-dimethyl-5-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 40919087
ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
CID 9155973
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide (CID 62687239) is 4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide is CCC(NC(=O)c1nonc1N)c1ccc(C)cc1.
What is the InChIKey of 4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is JVNFVKHPVLYHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-10(9-6-4-8(2)5-7-9)15-13(18)11-12(14)17-19-16-11/h4-7,10H,3H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).