3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C17H22N2O — CID 53035014

IUPAC3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc(C2CCCN2Cc2ccc(C)cc2)on1
InChIInChI=1S/C17H22N2O/c1-3-15-11-17(20-18-15)16-5-4-10-19(16)12-14-8-6-13(2)7-9-14/h6-9,11,16H,3-5,10,12H2,1-2H3
InChIKeyBAUNFNWNRAVJEJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.88
Rot. Bonds4

About 3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole

3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 53035014) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID53035014
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc(C2CCCN2Cc2ccc(C)cc2)on1
InChIInChI=1S/C17H22N2O/c1-3-15-11-17(20-18-15)16-5-4-10-19(16)12-14-8-6-13(2)7-9-14/h6-9,11,16H,3-5,10,12H2,1-2H3
InChIKeyBAUNFNWNRAVJEJ-UHFFFAOYSA-N
XLogP3.88
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 53035014) is 3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole is CCc1cc(C2CCCN2Cc2ccc(C)cc2)on1.
What is the InChIKey of 3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is BAUNFNWNRAVJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-15-11-17(20-18-15)16-5-4-10-19(16)12-14-8-6-13(2)7-9-14/h6-9,11,16H,3-5,10,12H2,1-2H3.
What are the key properties of 3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 270.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 53035014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).