ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate

C19H18N4O4 — CID 109200797

IUPACethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(C(=O)Nc3cc(C)on3)nc2)cc1
InChIInChI=1S/C19H18N4O4/c1-3-26-19(25)13-4-6-14(7-5-13)21-15-8-9-16(20-11-15)18(24)22-17-10-12(2)27-23-17/h4-11,21H,3H2,1-2H3,(H,22,23,24)
InChIKeyJWFKBFCPLSFKOZ-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.55
Rot. Bonds6

About ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate

ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109200797) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109200797
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Nameethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(C(=O)Nc3cc(C)on3)nc2)cc1
InChIInChI=1S/C19H18N4O4/c1-3-26-19(25)13-4-6-14(7-5-13)21-15-8-9-16(20-11-15)18(24)22-17-10-12(2)27-23-17/h4-11,21H,3H2,1-2H3,(H,22,23,24)
InChIKeyJWFKBFCPLSFKOZ-UHFFFAOYSA-N
XLogP3.55
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate with MolForge

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Related Compounds

5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198812
5-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198217
methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200517
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109130228
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198151
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179210
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109270516
ethyl 4-[[5-(3,4-difluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200789
N-(5-methyl-1,2-oxazol-3-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198762
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178880
N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179831

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109200797) is ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate is CCOC(=O)c1ccc(Nc2ccc(C(=O)Nc3cc(C)on3)nc2)cc1.
What is the InChIKey of ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is JWFKBFCPLSFKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-3-26-19(25)13-4-6-14(7-5-13)21-15-8-9-16(20-11-15)18(24)22-17-10-12(2)27-23-17/h4-11,21H,3H2,1-2H3,(H,22,23,24).
What are the key properties of ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate?
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate has a molecular weight of 366.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109200797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).