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

C16H20N2O2 — CID 23654812

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2c(C)noc2C)c1C
InChIInChI=1S/C16H20N2O2/c1-10-6-5-7-14(11(10)2)9-17-16(19)8-15-12(3)18-20-13(15)4/h5-7H,8-9H2,1-4H3,(H,17,19)
InChIKeyJTPKQTADTORNFL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.77
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide (PubChem CID 23654812) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide
PubChem CID23654812
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2c(C)noc2C)c1C
InChIInChI=1S/C16H20N2O2/c1-10-6-5-7-14(11(10)2)9-17-16(19)8-15-12(3)18-20-13(15)4/h5-7H,8-9H2,1-4H3,(H,17,19)
InChIKeyJTPKQTADTORNFL-UHFFFAOYSA-N
XLogP2.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide (CID 23654812) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cc2c(C)noc2C)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide?
The InChIKey is JTPKQTADTORNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-6-5-7-14(11(10)2)9-17-16(19)8-15-12(3)18-20-13(15)4/h5-7H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3-dimethylphenyl)methyl]acetamide is sourced from PubChem (CID 23654812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).