5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole

C22H30N2O2 — CID 118422190

IUPAC5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole
SMILESCCC1CC[C@@H](CCOCc2c(-c3ccccc3C)noc2C2CC2)N1
InChIInChI=1S/C22H30N2O2/c1-3-17-10-11-18(23-17)12-13-25-14-20-21(19-7-5-4-6-15(19)2)24-26-22(20)16-8-9-16/h4-7,16-18,23H,3,8-14H2,1-2H3/t17?,18-/m0/s1
InChIKeyXPXKNJIDPOMEGM-ZVAWYAOSSA-N
MW354.49 g/mol
LogP4.96
Rot. Bonds8

About 5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole

5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole (PubChem CID 118422190) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole
PubChem CID118422190
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole
SMILESCCC1CC[C@@H](CCOCc2c(-c3ccccc3C)noc2C2CC2)N1
InChIInChI=1S/C22H30N2O2/c1-3-17-10-11-18(23-17)12-13-25-14-20-21(19-7-5-4-6-15(19)2)24-26-22(20)16-8-9-16/h4-7,16-18,23H,3,8-14H2,1-2H3/t17?,18-/m0/s1
InChIKeyXPXKNJIDPOMEGM-ZVAWYAOSSA-N
XLogP4.96
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole (CID 118422190) is 5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole is CCC1CC[C@@H](CCOCc2c(-c3ccccc3C)noc2C2CC2)N1.
What is the InChIKey of 5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole?
The InChIKey is XPXKNJIDPOMEGM-ZVAWYAOSSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-3-17-10-11-18(23-17)12-13-25-14-20-21(19-7-5-4-6-15(19)2)24-26-22(20)16-8-9-16/h4-7,16-18,23H,3,8-14H2,1-2H3/t17?,18-/m0/s1.
What are the key properties of 5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole?
5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole has a molecular weight of 354.49 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 118422190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).