methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate

C21H21N3O3 — CID 171908349

IUPACmethyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(Cc2cc(-c3cccnc3)no2)C1
InChIInChI=1S/C21H21N3O3/c1-26-20(25)21(17-7-3-2-4-8-17)9-11-24(15-21)14-18-12-19(23-27-18)16-6-5-10-22-13-16/h2-8,10,12-13H,9,11,14-15H2,1H3
InChIKeySREJNUAWUAJEQX-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.05
Rot. Bonds5

About methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate

methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate (PubChem CID 171908349) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate
PubChem CID171908349
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namemethyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(Cc2cc(-c3cccnc3)no2)C1
InChIInChI=1S/C21H21N3O3/c1-26-20(25)21(17-7-3-2-4-8-17)9-11-24(15-21)14-18-12-19(23-27-18)16-6-5-10-22-13-16/h2-8,10,12-13H,9,11,14-15H2,1H3
InChIKeySREJNUAWUAJEQX-UHFFFAOYSA-N
XLogP3.05
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate with MolForge

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Related Compounds

4-(hydroxymethyl)-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 56752239
(3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 37143786
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-2-pyridin-3-ylacetamide
CID 131913778
[1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol
CID 154779704
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 91838613
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 135089018
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
N-[[8-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 171907297
ethyl (3S)-3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 95853666
methyl 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]cubane-1-carboxylate
CID 177185415
methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate
CID 95372072

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate (CID 171908349) is methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate is COC(=O)C1(c2ccccc2)CCN(Cc2cc(-c3cccnc3)no2)C1.
What is the InChIKey of methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate?
The InChIKey is SREJNUAWUAJEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-20(25)21(17-7-3-2-4-8-17)9-11-24(15-21)14-18-12-19(23-27-18)16-6-5-10-22-13-16/h2-8,10,12-13H,9,11,14-15H2,1H3.
What are the key properties of methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate?
methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 171908349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).