5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole

C20H22N2O — CID 56953693

IUPAC5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole
SMILESCC1(N2CCCC2)ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H22N2O/c1-20(22-14-8-9-15-22)18(16-10-4-2-5-11-16)19(21-23-20)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3
InChIKeyHBXFRRCPVUCVFU-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.02
Rot. Bonds3

About 5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole

5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole (PubChem CID 56953693) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole
PubChem CID56953693
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole
SMILESCC1(N2CCCC2)ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H22N2O/c1-20(22-14-8-9-15-22)18(16-10-4-2-5-11-16)19(21-23-20)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3
InChIKeyHBXFRRCPVUCVFU-UHFFFAOYSA-N
XLogP4.02
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole?
The IUPAC name of 5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole (CID 56953693) is 5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole.
What is the SMILES notation for 5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole?
The canonical SMILES for 5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole is CC1(N2CCCC2)ON=C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole?
The InChIKey is HBXFRRCPVUCVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-20(22-14-8-9-15-22)18(16-10-4-2-5-11-16)19(21-23-20)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3.
What are the key properties of 5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole?
5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole has a molecular weight of 306.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-diphenyl-5-pyrrolidin-1-yl-4H-1,2-oxazole is sourced from PubChem (CID 56953693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).