methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate

C18H22N2O4 — CID 95720331

IUPACmethyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(C)c1CN1CCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C18H22N2O4/c1-12-15(17(19-24-12)18(21)23-3)11-20-9-5-8-16(20)13-6-4-7-14(10-13)22-2/h4,6-7,10,16H,5,8-9,11H2,1-3H3/t16-/m1/s1
InChIKeyXSWFSNKBEAFNKW-MRXNPFEDSA-N
MW330.38 g/mol
LogP3.12
Rot. Bonds5

About methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate

methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate (PubChem CID 95720331) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate
PubChem CID95720331
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namemethyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(C)c1CN1CCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C18H22N2O4/c1-12-15(17(19-24-12)18(21)23-3)11-20-9-5-8-16(20)13-6-4-7-14(10-13)22-2/h4,6-7,10,16H,5,8-9,11H2,1-3H3/t16-/m1/s1
InChIKeyXSWFSNKBEAFNKW-MRXNPFEDSA-N
XLogP3.12
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51471448
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51075931
3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 55536440
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
3-(3-methoxy-4-methylphenyl)-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97006376
methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 97064012
methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 51470159

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate (CID 95720331) is methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate is COC(=O)c1noc(C)c1CN1CCC[C@@H]1c1cccc(OC)c1.
What is the InChIKey of methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is XSWFSNKBEAFNKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-15(17(19-24-12)18(21)23-3)11-20-9-5-8-16(20)13-6-4-7-14(10-13)22-2/h4,6-7,10,16H,5,8-9,11H2,1-3H3/t16-/m1/s1.
What are the key properties of methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate?
methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 95720331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).