2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

C17H18N4O3 — CID 91907254

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCCc1noc(-c2ccccc2)n1
InChIInChI=1S/C17H18N4O3/c1-11-14(12(2)23-20-11)10-16(22)18-9-8-15-19-17(24-21-15)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,22)
InChIKeyQOHGVPXDFHFNJD-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.24
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 91907254) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID91907254
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCCc1noc(-c2ccccc2)n1
InChIInChI=1S/C17H18N4O3/c1-11-14(12(2)23-20-11)10-16(22)18-9-8-15-19-17(24-21-15)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,22)
InChIKeyQOHGVPXDFHFNJD-UHFFFAOYSA-N
XLogP2.24
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 91907254) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is Cc1noc(C)c1CC(=O)NCCc1noc(-c2ccccc2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is QOHGVPXDFHFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-14(12(2)23-20-11)10-16(22)18-9-8-15-19-17(24-21-15)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 91907254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).