N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C18H21N3O3 — CID 167798996

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCc1onc(NC(=O)C(c2ccccc2)N2CCCCC2=O)c1C
InChIInChI=1S/C18H21N3O3/c1-12-13(2)24-20-17(12)19-18(23)16(14-8-4-3-5-9-14)21-11-7-6-10-15(21)22/h3-5,8-9,16H,6-7,10-11H2,1-2H3,(H,19,20,23)
InChIKeyJVVWIXYQBXIHPH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.98
Rot. Bonds4

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 167798996) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID167798996
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCc1onc(NC(=O)C(c2ccccc2)N2CCCCC2=O)c1C
InChIInChI=1S/C18H21N3O3/c1-12-13(2)24-20-17(12)19-18(23)16(14-8-4-3-5-9-14)21-11-7-6-10-15(21)22/h3-5,8-9,16H,6-7,10-11H2,1-2H3,(H,19,20,23)
InChIKeyJVVWIXYQBXIHPH-UHFFFAOYSA-N
XLogP2.98
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 167798996) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is Cc1onc(NC(=O)C(c2ccccc2)N2CCCCC2=O)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is JVVWIXYQBXIHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-13(2)24-20-17(12)19-18(23)16(14-8-4-3-5-9-14)21-11-7-6-10-15(21)22/h3-5,8-9,16H,6-7,10-11H2,1-2H3,(H,19,20,23).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 327.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 167798996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).