(3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C19H15ClFNO6 — CID 16529329

IUPAC(3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1ccoc1COC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C19H15ClFNO6/c1-3-25-18(23)11-7-8-26-14(11)9-27-19(24)15-10(2)28-22-17(15)16-12(20)5-4-6-13(16)21/h4-8H,3,9H2,1-2H3
InChIKeyBZLVLERVWBOZDE-UHFFFAOYSA-N
MW407.78 g/mol
LogP4.57
Rot. Bonds6

About (3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

(3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 16529329) has the molecular formula C19H15ClFNO6 and a molecular weight of 407.78 g/mol. Its IUPAC name is (3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID16529329
Molecular FormulaC19H15ClFNO6
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC Name(3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1ccoc1COC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C19H15ClFNO6/c1-3-25-18(23)11-7-8-26-14(11)9-27-19(24)15-10(2)28-22-17(15)16-12(20)5-4-6-13(16)21/h4-8H,3,9H2,1-2H3
InChIKeyBZLVLERVWBOZDE-UHFFFAOYSA-N
XLogP4.57
TPSA91.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.78
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

naphthalen-1-ylmethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7825430
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
(2-cyanophenyl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9341086
diethyl 5-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43009709
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 16529376
[2-(2,5-difluorophenyl)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 8762871
2-(4-fluorophenoxy)ethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7825415
[(E)-[amino-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 6293797
[2-(3-methoxypropylamino)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 8762863
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9341111
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 16529337

Frequently Asked Questions

What is the IUPAC name of (3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 16529329) is (3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1ccoc1COC(=O)c1c(-c2c(F)cccc2Cl)noc1C.
What is the InChIKey of (3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is BZLVLERVWBOZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO6/c1-3-25-18(23)11-7-8-26-14(11)9-27-19(24)15-10(2)28-22-17(15)16-12(20)5-4-6-13(16)21/h4-8H,3,9H2,1-2H3.
What are the key properties of (3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
(3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 407.78 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxycarbonylfuran-2-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 16529329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).