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

C14H18N4O2 — CID 62687071

IUPAC4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)c1nonc1N
InChIInChI=1S/C14H18N4O2/c1-3-8-18(9-11-6-4-10(2)5-7-11)14(19)12-13(15)17-20-16-12/h4-7H,3,8-9H2,1-2H3,(H2,15,17)
InChIKeyAZDNTWKCJXXPIZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.01
Rot. Bonds5

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

4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687071) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687071
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)c1nonc1N
InChIInChI=1S/C14H18N4O2/c1-3-8-18(9-11-6-4-10(2)5-7-11)14(19)12-13(15)17-20-16-12/h4-7H,3,8-9H2,1-2H3,(H2,15,17)
InChIKeyAZDNTWKCJXXPIZ-UHFFFAOYSA-N
XLogP2.01
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 63103779
4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide
CID 62687260
4-amino-N-methyl-N-(4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688016
2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide
CID 106686184
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 60686287
N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide
CID 43459468
3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide
CID 18192751
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103665
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid
CID 62688558
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide (CID 62687071) is 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide is CCCN(Cc1ccc(C)cc1)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is AZDNTWKCJXXPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-8-18(9-11-6-4-10(2)5-7-11)14(19)12-13(15)17-20-16-12/h4-7H,3,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).