methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate

C16H16N2O5 — CID 168693526

IUPACmethyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cc(-c3cccc(OC)c3)no2)C1
InChIInChI=1S/C16H16N2O5/c1-21-12-5-3-4-10(6-12)13-8-15(23-17-13)18-9-11(7-14(18)19)16(20)22-2/h3-6,8,11H,7,9H2,1-2H3
InChIKeyOVUXEGIUTOPMPV-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.88
Rot. Bonds4

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

methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693526) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
PubChem CID168693526
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Namemethyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cc(-c3cccc(OC)c3)no2)C1
InChIInChI=1S/C16H16N2O5/c1-21-12-5-3-4-10(6-12)13-8-15(23-17-13)18-9-11(7-14(18)19)16(20)22-2/h3-6,8,11H,7,9H2,1-2H3
InChIKeyOVUXEGIUTOPMPV-UHFFFAOYSA-N
XLogP1.88
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168693705
4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168662488
1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714172
methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693752
methyl 1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694008
4-(aminomethyl)-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168659597
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16867081
(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7371797
(3aS,6aR)-5-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 167751118
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693437
4-(bromomethyl)-1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168505960

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate (CID 168693526) is methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2cc(-c3cccc(OC)c3)no2)C1.
What is the InChIKey of methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is OVUXEGIUTOPMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-21-12-5-3-4-10(6-12)13-8-15(23-17-13)18-9-11(7-14(18)19)16(20)22-2/h3-6,8,11H,7,9H2,1-2H3.
What are the key properties of methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).