4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole

C13H20N2O2 — CID 115041557

IUPAC4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
SMILESc1oc(CC2CCCN2)nc1C1CCOCC1
InChIInChI=1S/C13H20N2O2/c1-2-11(14-5-1)8-13-15-12(9-17-13)10-3-6-16-7-4-10/h9-11,14H,1-8H2
InChIKeyAADROEACAOPZJE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.86
Rot. Bonds3

About 4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole

4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole (PubChem CID 115041557) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
PubChem CID115041557
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
SMILESc1oc(CC2CCCN2)nc1C1CCOCC1
InChIInChI=1S/C13H20N2O2/c1-2-11(14-5-1)8-13-15-12(9-17-13)10-3-6-16-7-4-10/h9-11,14H,1-8H2
InChIKeyAADROEACAOPZJE-UHFFFAOYSA-N
XLogP1.86
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-3-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 115041538
4-(oxolan-2-yl)-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 115041530
2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carbaldehyde
CID 115083052
2-[4-(oxan-4-yl)-1,3-oxazol-2-yl]ethanol
CID 115021002
methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate
CID 105463941
4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807598
(4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine
CID 115013285
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115033401
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine
CID 117418918
3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65389898

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The IUPAC name of 4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole (CID 115041557) is 4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The canonical SMILES for 4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole is c1oc(CC2CCCN2)nc1C1CCOCC1.
What is the InChIKey of 4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The InChIKey is AADROEACAOPZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-11(14-5-1)8-13-15-12(9-17-13)10-3-6-16-7-4-10/h9-11,14H,1-8H2.
What are the key properties of 4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole has a molecular weight of 236.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 115041557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).