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

C17H17N3O3 — CID 67515296

IUPAC3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide
SMILESCNC(=O)c1cc(-c2ncco2)cc(-c2nc(C)oc2C)c1C
InChIInChI=1S/C17H17N3O3/c1-9-13(15-10(2)23-11(3)20-15)7-12(17-19-5-6-22-17)8-14(9)16(21)18-4/h5-8H,1-4H3,(H,18,21)
InChIKeyIDAKIZAVIJZTDN-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.28
Rot. Bonds3

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

3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide (PubChem CID 67515296) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide
PubChem CID67515296
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide
SMILESCNC(=O)c1cc(-c2ncco2)cc(-c2nc(C)oc2C)c1C
InChIInChI=1S/C17H17N3O3/c1-9-13(15-10(2)23-11(3)20-15)7-12(17-19-5-6-22-17)8-14(9)16(21)18-4/h5-8H,1-4H3,(H,18,21)
InChIKeyIDAKIZAVIJZTDN-UHFFFAOYSA-N
XLogP3.28
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide?
The IUPAC name of 3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide (CID 67515296) is 3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for 3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide?
The canonical SMILES for 3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide is CNC(=O)c1cc(-c2ncco2)cc(-c2nc(C)oc2C)c1C.
What is the InChIKey of 3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide?
The InChIKey is IDAKIZAVIJZTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-9-13(15-10(2)23-11(3)20-15)7-12(17-19-5-6-22-17)8-14(9)16(21)18-4/h5-8H,1-4H3,(H,18,21).
What are the key properties of 3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide?
3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide has a molecular weight of 311.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 67515296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).