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

C14H17N3O2 — CID 60959336

IUPAC2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccccc1N
InChIInChI=1S/C14H17N3O2/c1-9-12(10(2)19-16-9)8-17(3)14(18)11-6-4-5-7-13(11)15/h4-7H,8,15H2,1-3H3
InChIKeyGAQPZXDXCMRORQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.15
Rot. Bonds3

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

2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide (PubChem CID 60959336) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
PubChem CID60959336
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccccc1N
InChIInChI=1S/C14H17N3O2/c1-9-12(10(2)19-16-9)8-17(3)14(18)11-6-4-5-7-13(11)15/h4-7H,8,15H2,1-3H3
InChIKeyGAQPZXDXCMRORQ-UHFFFAOYSA-N
XLogP2.15
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 79720001
2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 61109940
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378051
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 51148585
2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 114371641
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 55653157
N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 34677040
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 35146752
3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
N-[(2-bromophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylpyridine-3-carboxamide
CID 35131480
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethyl-3-phenylbutanamide
CID 86852790
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide (CID 60959336) is 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide is Cc1noc(C)c1CN(C)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The InChIKey is GAQPZXDXCMRORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-12(10(2)19-16-9)8-17(3)14(18)11-6-4-5-7-13(11)15/h4-7H,8,15H2,1-3H3.
What are the key properties of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide has a molecular weight of 259.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60959336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).