2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide

C16H21N3O2 — CID 72939059

IUPAC2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCc1cccc(C(C(=O)N(C)Cc2ccon2)N(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-12-6-5-7-13(10-12)15(18(2)3)16(20)19(4)11-14-8-9-21-17-14/h5-10,15H,11H2,1-4H3
InChIKeyKAYLJNWYZSQAMQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.24
Rot. Bonds5

About 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide

2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 72939059) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID72939059
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCc1cccc(C(C(=O)N(C)Cc2ccon2)N(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-12-6-5-7-13(10-12)15(18(2)3)16(20)19(4)11-14-8-9-21-17-14/h5-10,15H,11H2,1-4H3
InChIKeyKAYLJNWYZSQAMQ-UHFFFAOYSA-N
XLogP2.24
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 72939059) is 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide is Cc1cccc(C(C(=O)N(C)Cc2ccon2)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is KAYLJNWYZSQAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-6-5-7-13(10-12)15(18(2)3)16(20)19(4)11-14-8-9-21-17-14/h5-10,15H,11H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 72939059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).