methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate

C20H19FN2O5 — CID 53022317

IUPACmethyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(F)c2)noc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C20H19FN2O5/c1-25-15-8-7-13(16(10-15)26-2)11-22-19-17(20(24)27-3)18(23-28-19)12-5-4-6-14(21)9-12/h4-10,22H,11H2,1-3H3
InChIKeyQLDMSTNCYWQXME-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.90
Rot. Bonds7

About methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate

methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate (PubChem CID 53022317) has the molecular formula C20H19FN2O5 and a molecular weight of 386.38 g/mol. Its IUPAC name is methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
PubChem CID53022317
Molecular FormulaC20H19FN2O5
Molecular Weight386.38 g/mol
Exact Mass386.13
IUPAC Namemethyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(F)c2)noc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C20H19FN2O5/c1-25-15-8-7-13(16(10-15)26-2)11-22-19-17(20(24)27-3)18(23-28-19)12-5-4-6-14(21)9-12/h4-10,22H,11H2,1-3H3
InChIKeyQLDMSTNCYWQXME-UHFFFAOYSA-N
XLogP3.90
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107928
methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 53022232
methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate
CID 53022279
methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate
CID 22581820
methyl 5-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 93069816
3-(2-chloro-6-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46590142
2-(2,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 36539541
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
1,5-bis[(2,4-dimethoxyphenyl)methylamino]-2,4-bis(3-fluorophenyl)pentan-3-one
CID 174559527
methyl 5-[[4-(dimethylamino)phenyl]methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 46358776
3-[(2,4-dimethoxyphenyl)methylamino]benzamide
CID 28650467

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate (CID 53022317) is methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2cccc(F)c2)noc1NCc1ccc(OC)cc1OC.
What is the InChIKey of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate?
The InChIKey is QLDMSTNCYWQXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5/c1-25-15-8-7-13(16(10-15)26-2)11-22-19-17(20(24)27-3)18(23-28-19)12-5-4-6-14(21)9-12/h4-10,22H,11H2,1-3H3.
What are the key properties of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate?
methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate has a molecular weight of 386.38 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 53022317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).