5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole

C16H21N3O — CID 171326675

IUPAC5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole
SMILESCC(C)c1ocnc1CN1CCC(c2ccccn2)C1
InChIInChI=1S/C16H21N3O/c1-12(2)16-15(18-11-20-16)10-19-8-6-13(9-19)14-5-3-4-7-17-14/h3-5,7,11-13H,6,8-10H2,1-2H3
InChIKeyYCDAHCLPRMXLDF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.18
Rot. Bonds4

About 5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole

5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole (PubChem CID 171326675) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole
PubChem CID171326675
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole
SMILESCC(C)c1ocnc1CN1CCC(c2ccccn2)C1
InChIInChI=1S/C16H21N3O/c1-12(2)16-15(18-11-20-16)10-19-8-6-13(9-19)14-5-3-4-7-17-14/h3-5,7,11-13H,6,8-10H2,1-2H3
InChIKeyYCDAHCLPRMXLDF-UHFFFAOYSA-N
XLogP3.18
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole (CID 171326675) is 5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole is CC(C)c1ocnc1CN1CCC(c2ccccn2)C1.
What is the InChIKey of 5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is YCDAHCLPRMXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)16-15(18-11-20-16)10-19-8-6-13(9-19)14-5-3-4-7-17-14/h3-5,7,11-13H,6,8-10H2,1-2H3.
What are the key properties of 5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole?
5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 271.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 171326675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).