methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate

C19H15ClN2O4 — CID 15944686

IUPACmethyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1Cc1nc(-c2cccc(Cl)c2)oc1C
InChIInChI=1S/C19H15ClN2O4/c1-11-14(21-18(26-11)12-4-3-5-13(20)8-12)10-22-15-6-7-25-17(15)9-16(22)19(23)24-2/h3-9H,10H2,1-2H3
InChIKeyGZVODNLLXMGNNI-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.69
Rot. Bonds4

About methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate

methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 15944686) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID15944686
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Namemethyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1Cc1nc(-c2cccc(Cl)c2)oc1C
InChIInChI=1S/C19H15ClN2O4/c1-11-14(21-18(26-11)12-4-3-5-13(20)8-12)10-22-15-6-7-25-17(15)9-16(22)19(23)24-2/h3-9H,10H2,1-2H3
InChIKeyGZVODNLLXMGNNI-UHFFFAOYSA-N
XLogP4.69
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

Methyl trans-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-furo[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (31)
CID 124155030
methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011014
Methyl 4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methyl}-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011163
4-[(4-Methyl-cyclohexylcarbamoyl)-methyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 656205
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
4-(2-Chloro-6-fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438713
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3236476
1-[2-(2-Methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3238241
Methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methyl-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 3239201
methyl 4-[1-(morpholin-4-ylcarbonyl)propyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3241399
methyl 2-methyl-4-{2-[methyl(phenyl)amino]-2-oxoethyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3243502
Methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 4048817

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate (CID 15944686) is methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1Cc1nc(-c2cccc(Cl)c2)oc1C.
What is the InChIKey of methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GZVODNLLXMGNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-11-14(21-18(26-11)12-4-3-5-13(20)8-12)10-22-15-6-7-25-17(15)9-16(22)19(23)24-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 370.79 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 15944686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).