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

C20H17ClN2O4 — CID 20883217

IUPACmethyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)cc2n1Cc1nc(-c2ccccc2Cl)oc1C
InChIInChI=1S/C20H17ClN2O4/c1-11-8-16-18(26-11)9-17(20(24)25-3)23(16)10-15-12(2)27-19(22-15)13-6-4-5-7-14(13)21/h4-9H,10H2,1-3H3
InChIKeyQLPFIKNUBGLDAA-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.99
Rot. Bonds4

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

methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883217) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID20883217
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Namemethyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)cc2n1Cc1nc(-c2ccccc2Cl)oc1C
InChIInChI=1S/C20H17ClN2O4/c1-11-8-16-18(26-11)9-17(20(24)25-3)23(16)10-15-12(2)27-19(22-15)13-6-4-5-7-14(13)21/h4-9H,10H2,1-3H3
InChIKeyQLPFIKNUBGLDAA-UHFFFAOYSA-N
XLogP4.99
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-4-carboxylate
CID 56739922
methyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 28867696
ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate
CID 56749713
methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424245
methyl 4-benzyl-2-(2,4-dichlorophenoxy)furo[3,2-b]pyrrole-5-carboxylate
CID 101128974
methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 3244174
2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56748666
methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 46260757
N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791646
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156813
methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883449
4-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methyl]-6-ethylchromen-2-one
CID 17251288

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 20883217) is methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2oc(C)cc2n1Cc1nc(-c2ccccc2Cl)oc1C.
What is the InChIKey of methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is QLPFIKNUBGLDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-11-8-16-18(26-11)9-17(20(24)25-3)23(16)10-15-12(2)27-19(22-15)13-6-4-5-7-14(13)21/h4-9H,10H2,1-3H3.
What are the key properties of methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 384.82 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).