(5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C19H21N5O2 — CID 72936339

IUPAC(5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)no1
InChIInChI=1S/C19H21N5O2/c1-14-12-17(22-26-14)19(25)23-9-5-15(6-10-23)18-21-8-11-24(18)13-16-4-2-3-7-20-16/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3
InChIKeyPVSCKOTZQQXQGP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.64
Rot. Bonds4

About (5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72936339) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72936339
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)no1
InChIInChI=1S/C19H21N5O2/c1-14-12-17(22-26-14)19(25)23-9-5-15(6-10-23)18-21-8-11-24(18)13-16-4-2-3-7-20-16/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3
InChIKeyPVSCKOTZQQXQGP-UHFFFAOYSA-N
XLogP2.64
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72936339) is (5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is PVSCKOTZQQXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-12-17(22-26-14)19(25)23-9-5-15(6-10-23)18-21-8-11-24(18)13-16-4-2-3-7-20-16/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72936339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).