ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate

C19H18N2O4 — CID 139225247

IUPACethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ncc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-3-24-18(22)15-10-9-14(11-16(15)23-2)21-19-20-12-17(25-19)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyDGETYHYDDNAABR-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.27
Rot. Bonds6

About ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate

ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate (PubChem CID 139225247) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate
PubChem CID139225247
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ncc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-3-24-18(22)15-10-9-14(11-16(15)23-2)21-19-20-12-17(25-19)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyDGETYHYDDNAABR-UHFFFAOYSA-N
XLogP4.27
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide
CID 166108152
ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate
CID 139225277
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179
ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate
CID 13038487
2-amino-N-[[2-[2-[3-methoxy-4-(2-methylprop-1-enyl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide
CID 10409889
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
N-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 164603929
4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
CID 11395732
ethyl 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxybenzoate
CID 58880262
(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811686
ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate?
The IUPAC name of ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate (CID 139225247) is ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate.
What is the SMILES notation for ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate?
The canonical SMILES for ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2ncc(-c3ccccc3)o2)cc1OC.
What is the InChIKey of ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate?
The InChIKey is DGETYHYDDNAABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-24-18(22)15-10-9-14(11-16(15)23-2)21-19-20-12-17(25-19)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate?
ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate is sourced from PubChem (CID 139225247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).