2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide

C16H21N3O3 — CID 120553081

IUPAC2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
SMILESCc1oc(-c2ccco2)nc1CC(=O)NC1CCNCC1C
InChIInChI=1S/C16H21N3O3/c1-10-9-17-6-5-12(10)18-15(20)8-13-11(2)22-16(19-13)14-4-3-7-21-14/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyPGIUNKQGJJXFSE-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.90
Rot. Bonds4

About 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120553081) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120553081
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
SMILESCc1oc(-c2ccco2)nc1CC(=O)NC1CCNCC1C
InChIInChI=1S/C16H21N3O3/c1-10-9-17-6-5-12(10)18-15(20)8-13-11(2)22-16(19-13)14-4-3-7-21-14/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyPGIUNKQGJJXFSE-UHFFFAOYSA-N
XLogP1.90
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide (CID 120553081) is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide is Cc1oc(-c2ccco2)nc1CC(=O)NC1CCNCC1C.
What is the InChIKey of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is PGIUNKQGJJXFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-9-17-6-5-12(10)18-15(20)8-13-11(2)22-16(19-13)14-4-3-7-21-14/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120553081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).