[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate

C20H18N2O5 — CID 93487893

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccccc1N1C[C@@H](C(=O)OCc2cc(-c3ccco3)on2)CC1=O
InChIInChI=1S/C20H18N2O5/c1-13-5-2-3-6-16(13)22-11-14(9-19(22)23)20(24)26-12-15-10-18(27-21-15)17-7-4-8-25-17/h2-8,10,14H,9,11-12H2,1H3/t14-/m0/s1
InChIKeyRYVRZTBJJBDZRN-AWEZNQCLSA-N
MW366.37 g/mol
LogP3.34
Rot. Bonds5

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 93487893) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID93487893
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccccc1N1C[C@@H](C(=O)OCc2cc(-c3ccco3)on2)CC1=O
InChIInChI=1S/C20H18N2O5/c1-13-5-2-3-6-16(13)22-11-14(9-19(22)23)20(24)26-12-15-10-18(27-21-15)17-7-4-8-25-17/h2-8,10,14H,9,11-12H2,1H3/t14-/m0/s1
InChIKeyRYVRZTBJJBDZRN-AWEZNQCLSA-N
XLogP3.34
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 16870149
(5-phenyl-1,2-oxazol-3-yl)methyl (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8588810
[2-(3-methoxyphenyl)-2-oxoethyl] (3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004086
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 16870154
[2-(3-nitrophenyl)-2-oxoethyl] (3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004100
(3,4-dimethylphenyl) (3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 973275
(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057474
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 45355885
[2-(4-methoxyanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 126152620
[2-(2,5-dimethylanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 126133656
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8531222
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
CID 40752868

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 93487893) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate is Cc1ccccc1N1C[C@@H](C(=O)OCc2cc(-c3ccco3)on2)CC1=O.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is RYVRZTBJJBDZRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-13-5-2-3-6-16(13)22-11-14(9-19(22)23)20(24)26-12-15-10-18(27-21-15)17-7-4-8-25-17/h2-8,10,14H,9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 93487893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).