methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate

C18H16ClN3O3 — CID 118196395

IUPACmethyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2cc(-c3c(C)noc3C)cnc2Cl)c1
InChIInChI=1S/C18H16ClN3O3/c1-10-16(11(2)25-22-10)13-8-15(17(19)20-9-13)21-14-6-4-5-12(7-14)18(23)24-3/h4-9,21H,1-3H3
InChIKeyVCHJHNMPTUZFIL-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.54
Rot. Bonds4

About methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate

methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate (PubChem CID 118196395) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate
PubChem CID118196395
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Namemethyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2cc(-c3c(C)noc3C)cnc2Cl)c1
InChIInChI=1S/C18H16ClN3O3/c1-10-16(11(2)25-22-10)13-8-15(17(19)20-9-13)21-14-6-4-5-12(7-14)18(23)24-3/h4-9,21H,1-3H3
InChIKeyVCHJHNMPTUZFIL-UHFFFAOYSA-N
XLogP4.54
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]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

methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
CID 101483431
methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate
CID 121418858
methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate
CID 122688323
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 142565317
lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide
CID 159553569
methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200517
methyl 3-[[3-(4-chloro-2-methylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112966460
methyl 3-[[5-[(5-methyl-1,2-oxazol-3-yl)amino]-1,2,4-triazin-3-yl]amino]benzoate
CID 112968719
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 3-[[4-(2,4-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219781
methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylanilino)benzoate
CID 90375101
methyl 3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]benzoate
CID 112865845

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate (CID 118196395) is methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate is COC(=O)c1cccc(Nc2cc(-c3c(C)noc3C)cnc2Cl)c1.
What is the InChIKey of methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate?
The InChIKey is VCHJHNMPTUZFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-10-16(11(2)25-22-10)13-8-15(17(19)20-9-13)21-14-6-4-5-12(7-14)18(23)24-3/h4-9,21H,1-3H3.
What are the key properties of methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate?
methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate has a molecular weight of 357.80 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 118196395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).