2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole

C24H34N2O3 — CID 95785701

IUPAC2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1oc([C@@H]2CCCN2CCOC[C@@H]2CCCCO2)nc1-c1ccccc1
InChIInChI=1S/C24H34N2O3/c1-18(2)23-22(19-9-4-3-5-10-19)25-24(29-23)21-12-8-13-26(21)14-16-27-17-20-11-6-7-15-28-20/h3-5,9-10,18,20-21H,6-8,11-17H2,1-2H3/t20-,21-/m0/s1
InChIKeyUHYOTCOMLSQKFP-SFTDATJTSA-N
MW398.55 g/mol
LogP5.19
Rot. Bonds8

About 2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole

2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole (PubChem CID 95785701) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
PubChem CID95785701
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1oc([C@@H]2CCCN2CCOC[C@@H]2CCCCO2)nc1-c1ccccc1
InChIInChI=1S/C24H34N2O3/c1-18(2)23-22(19-9-4-3-5-10-19)25-24(29-23)21-12-8-13-26(21)14-16-27-17-20-11-6-7-15-28-20/h3-5,9-10,18,20-21H,6-8,11-17H2,1-2H3/t20-,21-/m0/s1
InChIKeyUHYOTCOMLSQKFP-SFTDATJTSA-N
XLogP5.19
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 129468349
1-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 95774688
[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
CID 124823211
7-amino-1-[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]heptan-1-one;dihydrochloride
CID 119892274
2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785088
(2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
CID 95784221
(1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol
CID 99105595
3-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 124568419
benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 57196602
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545682
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide
CID 95636078

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole (CID 95785701) is 2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole is CC(C)c1oc([C@@H]2CCCN2CCOC[C@@H]2CCCCO2)nc1-c1ccccc1.
What is the InChIKey of 2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole?
The InChIKey is UHYOTCOMLSQKFP-SFTDATJTSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-18(2)23-22(19-9-4-3-5-10-19)25-24(29-23)21-12-8-13-26(21)14-16-27-17-20-11-6-7-15-28-20/h3-5,9-10,18,20-21H,6-8,11-17H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of 2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole?
2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole has a molecular weight of 398.55 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 95785701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).