1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide

C18H28N4O3 — CID 169422566

About 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 169422566) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide
• PubChem CID: 169422566
• Molecular Formula: C18H28N4O3
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.22
• IUPAC Name: 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide
• SMILES: CC(C)(C)c1nc2c(o1)CCN(C(=O)CN1CCC(C(N)=O)CC1)C2
• InChI: InChI=1S/C18H28N4O3/c1-18(2,3)17-20-13-10-22(9-6-14(13)25-17)15(23)11-21-7-4-12(5-8-21)16(19)24/h12H,4-11H2,1-3H3,(H2,19,24)
• InChIKey: UOEWAHPQQAYMIW-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 92.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide (CID 169422566) is 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide is CC(C)(C)c1nc2c(o1)CCN(C(=O)CN1CCC(C(N)=O)CC1)C2.

What is the InChIKey of 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide?

The InChIKey is UOEWAHPQQAYMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-18(2,3)17-20-13-10-22(9-6-14(13)25-17)15(23)11-21-7-4-12(5-8-21)16(19)24/h12H,4-11H2,1-3H3,(H2,19,24).

What are the key properties of 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide?

1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 169422566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).