[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

C19H24N2O2 — CID 126429901

IUPAC[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1
InChIInChI=1S/C19H24N2O2/c1-13(2)17-16(20-12-23-17)18(22)21-10-15(19(3,4)11-21)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t15-/m1/s1
InChIKeyXANBTYBSSBHJPV-OAHLLOKOSA-N
MW312.41 g/mol
LogP4.06
Rot. Bonds3

About [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 126429901) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID126429901
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1
InChIInChI=1S/C19H24N2O2/c1-13(2)17-16(20-12-23-17)18(22)21-10-15(19(3,4)11-21)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t15-/m1/s1
InChIKeyXANBTYBSSBHJPV-OAHLLOKOSA-N
XLogP4.06
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 126429901) is [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC(C)c1ocnc1C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1.
What is the InChIKey of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is XANBTYBSSBHJPV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)17-16(20-12-23-17)18(22)21-10-15(19(3,4)11-21)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t15-/m1/s1.
What are the key properties of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 126429901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).