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

C16H21N3O2 — CID 119742561

IUPACN-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1
InChIInChI=1S/C16H21N3O2/c1-11-12(2)21-16(18-11)13-6-4-7-14(10-13)19-15(20)8-5-9-17-3/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,19,20)
InChIKeyJKMKMQNWXKAIER-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.90
Rot. Bonds6

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

N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide (PubChem CID 119742561) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide
PubChem CID119742561
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1
InChIInChI=1S/C16H21N3O2/c1-11-12(2)21-16(18-11)13-6-4-7-14(10-13)19-15(20)8-5-9-17-3/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,19,20)
InChIKeyJKMKMQNWXKAIER-UHFFFAOYSA-N
XLogP2.90
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707129
1-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119299864
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
CID 47386584
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 60577786
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 119742581
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 55864813
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea
CID 95635616
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119856932
3-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077622

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide (CID 119742561) is N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1.
What is the InChIKey of N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide?
The InChIKey is JKMKMQNWXKAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-12(2)21-16(18-11)13-6-4-7-14(10-13)19-15(20)8-5-9-17-3/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide?
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide has a molecular weight of 287.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119742561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).