2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide

C15H19N3O2 — CID 43692270

IUPAC2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCc1c(C)noc1C
InChIInChI=1S/C15H19N3O2/c1-10-13(11(2)20-18-10)9-17-14-7-5-4-6-12(14)8-15(19)16-3/h4-7,17H,8-9H2,1-3H3,(H,16,19)
InChIKeyICKCVCCDKOWQDU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds5

About 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide

2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide (PubChem CID 43692270) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide
PubChem CID43692270
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCc1c(C)noc1C
InChIInChI=1S/C15H19N3O2/c1-10-13(11(2)20-18-10)9-17-14-7-5-4-6-12(14)8-15(19)16-3/h4-7,17H,8-9H2,1-3H3,(H,16,19)
InChIKeyICKCVCCDKOWQDU-UHFFFAOYSA-N
XLogP2.19
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43601046
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79233745
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 79236204
N-methyl-2-[2-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104756616
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62344823
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 43739641
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-[(2-fluorophenyl)methyl]benzamide
CID 51121696
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoro-2-nitroaniline
CID 47983753

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide (CID 43692270) is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NCc1c(C)noc1C.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is ICKCVCCDKOWQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-13(11(2)20-18-10)9-17-14-7-5-4-6-12(14)8-15(19)16-3/h4-7,17H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide?
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 273.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43692270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).