[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C19H22N6O4 — CID 42577122

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1cccc(C(=O)OCc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C19H22N6O4/c1-11-15(12(2)29-24-11)9-27-14-7-5-6-13(8-14)17(26)28-10-16-21-18(20)23-19(22-16)25(3)4/h5-8H,9-10H2,1-4H3,(H2,20,21,22,23)
InChIKeyWIRIJWOJIOPBJI-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.06
Rot. Bonds7

About [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 42577122) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID42577122
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1cccc(C(=O)OCc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C19H22N6O4/c1-11-15(12(2)29-24-11)9-27-14-7-5-6-13(8-14)17(26)28-10-16-21-18(20)23-19(22-16)25(3)4/h5-8H,9-10H2,1-4H3,(H2,20,21,22,23)
InChIKeyWIRIJWOJIOPBJI-UHFFFAOYSA-N
XLogP2.06
TPSA129.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyanomethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2637058
(2,5-dimethylphenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186406
(3,4-dichlorophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186411
[2-(N-methylanilino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2589269
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 25462028
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4025543
2-(3-chlorophenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 8850253
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7270007
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 46606994
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 40793044
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate
CID 55458738
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2418158

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 42577122) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1noc(C)c1COc1cccc(C(=O)OCc2nc(N)nc(N(C)C)n2)c1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is WIRIJWOJIOPBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-11-15(12(2)29-24-11)9-27-14-7-5-6-13(8-14)17(26)28-10-16-21-18(20)23-19(22-16)25(3)4/h5-8H,9-10H2,1-4H3,(H2,20,21,22,23).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 398.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 42577122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).