3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole

C15H19N3O — CID 53009612

IUPAC3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1Cc1cccnc1
InChIInChI=1S/C15H19N3O/c1-11-15(12(2)19-17-11)14-6-4-8-18(14)10-13-5-3-7-16-9-13/h3,5,7,9,14H,4,6,8,10H2,1-2H3
InChIKeyRIHNWRQUDNLHHQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.02
Rot. Bonds3

About 3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 53009612) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
PubChem CID53009612
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1Cc1cccnc1
InChIInChI=1S/C15H19N3O/c1-11-15(12(2)19-17-11)14-6-4-8-18(14)10-13-5-3-7-16-9-13/h3,5,7,9,14H,4,6,8,10H2,1-2H3
InChIKeyRIHNWRQUDNLHHQ-UHFFFAOYSA-N
XLogP3.02
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole (CID 53009612) is 3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole is Cc1noc(C)c1C1CCCN1Cc1cccnc1.
What is the InChIKey of 3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is RIHNWRQUDNLHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-15(12(2)19-17-11)14-6-4-8-18(14)10-13-5-3-7-16-9-13/h3,5,7,9,14H,4,6,8,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 257.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 53009612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).