4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole

C17H22N2O — CID 126451372

IUPAC4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2C[C@H](c3ccccc3)C(C)(C)C2)co1
InChIInChI=1S/C17H22N2O/c1-13-18-15(11-20-13)9-19-10-16(17(2,3)12-19)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m1/s1
InChIKeyBHMGNOLLQPCBIA-MRXNPFEDSA-N
MW270.38 g/mol
LogP3.61
Rot. Bonds3

About 4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 126451372) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID126451372
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2C[C@H](c3ccccc3)C(C)(C)C2)co1
InChIInChI=1S/C17H22N2O/c1-13-18-15(11-20-13)9-19-10-16(17(2,3)12-19)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m1/s1
InChIKeyBHMGNOLLQPCBIA-MRXNPFEDSA-N
XLogP3.61
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 126451372) is 4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2C[C@H](c3ccccc3)C(C)(C)C2)co1.
What is the InChIKey of 4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is BHMGNOLLQPCBIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-18-15(11-20-13)9-19-10-16(17(2,3)12-19)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of 4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 270.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 126451372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).