methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate

C18H16N4O4 — CID 109200517

IUPACmethyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)Nc3cc(C)on3)nc2)c1
InChIInChI=1S/C18H16N4O4/c1-11-8-16(22-26-11)21-17(23)15-7-6-14(10-19-15)20-13-5-3-4-12(9-13)18(24)25-2/h3-10,20H,1-2H3,(H,21,22,23)
InChIKeyCPMBVWLKBHLXQS-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.16
Rot. Bonds5

About methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate

methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109200517) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109200517
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Namemethyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)Nc3cc(C)on3)nc2)c1
InChIInChI=1S/C18H16N4O4/c1-11-8-16(22-26-11)21-17(23)15-7-6-14(10-19-15)20-13-5-3-4-12(9-13)18(24)25-2/h3-10,20H,1-2H3,(H,21,22,23)
InChIKeyCPMBVWLKBHLXQS-UHFFFAOYSA-N
XLogP3.16
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate with MolForge

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Related Compounds

methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109197014
N-(3-acetylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109200351
methyl 3-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199300
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198151
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200797
5-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198217
N-(3-methoxyphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109199818
5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198812
methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109164633
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
4-(3-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222149
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109200517) is methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(C(=O)Nc3cc(C)on3)nc2)c1.
What is the InChIKey of methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is CPMBVWLKBHLXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11-8-16(22-26-11)21-17(23)15-7-6-14(10-19-15)20-13-5-3-4-12(9-13)18(24)25-2/h3-10,20H,1-2H3,(H,21,22,23).
What are the key properties of methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate?
methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate has a molecular weight of 352.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109200517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).