5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide

C15H19N3O2 — CID 102705730

IUPAC5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCc2c(C)noc2C)cc1N
InChIInChI=1S/C15H19N3O2/c1-8-5-9(2)14(16)6-12(8)15(19)17-7-13-10(3)18-20-11(13)4/h5-6H,7,16H2,1-4H3,(H,17,19)
InChIKeySVHDOVFQJGTSEF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.42
Rot. Bonds3

About 5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide

5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide (PubChem CID 102705730) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
PubChem CID102705730
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCc2c(C)noc2C)cc1N
InChIInChI=1S/C15H19N3O2/c1-8-5-9(2)14(16)6-12(8)15(19)17-7-13-10(3)18-20-11(13)4/h5-6H,7,16H2,1-4H3,(H,17,19)
InChIKeySVHDOVFQJGTSEF-UHFFFAOYSA-N
XLogP2.42
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107032011
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110730995
2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide
CID 78918282
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
CID 103707100
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfanylbenzamide
CID 71974519
6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide
CID 114035994

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide (CID 102705730) is 5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCc2c(C)noc2C)cc1N.
What is the InChIKey of 5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide?
The InChIKey is SVHDOVFQJGTSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-8-5-9(2)14(16)6-12(8)15(19)17-7-13-10(3)18-20-11(13)4/h5-6H,7,16H2,1-4H3,(H,17,19).
What are the key properties of 5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide?
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide has a molecular weight of 273.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 102705730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).