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

C14H18N4O2 — CID 61109940

IUPAC2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H18N4O2/c1-8-12(9(2)20-17-8)7-18(3)14(19)11-5-4-10(15)6-13(11)16/h4-6H,7,15-16H2,1-3H3
InChIKeyYMGKVLFEVGHTPJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.73
Rot. Bonds3

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

2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide (PubChem CID 61109940) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
PubChem CID61109940
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H18N4O2/c1-8-12(9(2)20-17-8)7-18(3)14(19)11-5-4-10(15)6-13(11)16/h4-6H,7,15-16H2,1-3H3
InChIKeyYMGKVLFEVGHTPJ-UHFFFAOYSA-N
XLogP1.73
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 55653157
2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 114371641
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378051
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647
3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
2-tert-butylsulfanyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-4-carboxamide
CID 75499116
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47209103
5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 61115628
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 51148585
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 99701912

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide (CID 61109940) is 2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide is Cc1noc(C)c1CN(C)C(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The InChIKey is YMGKVLFEVGHTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-12(9(2)20-17-8)7-18(3)14(19)11-5-4-10(15)6-13(11)16/h4-6H,7,15-16H2,1-3H3.
What are the key properties of 2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 61109940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).