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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Related Compounds

N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912114
2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126926812
2-[2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913451
4-[[4-(2-cyclopropyl-5-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
CID 155798689
5-propan-2-yl-4-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 126911341
2-methyl-5-[(4-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 121275152
(2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol
CID 100705663
cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 171324101
ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine
CID 91234805
N-methyl-4-[(4-pyridin-2-ylpiperidin-1-yl)methyl]benzamide
CID 136517634
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine
CID 104739860

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).