N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide

C15H19N3O2S — CID 106922113

IUPACN-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
SMILESCc1coc(SCCCC(=O)Nc2cc(N)ccc2C)n1
InChIInChI=1S/C15H19N3O2S/c1-10-5-6-12(16)8-13(10)18-14(19)4-3-7-21-15-17-11(2)9-20-15/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKeyLQULAGPBNKXMHA-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.38
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide

N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide (PubChem CID 106922113) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
PubChem CID106922113
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
SMILESCc1coc(SCCCC(=O)Nc2cc(N)ccc2C)n1
InChIInChI=1S/C15H19N3O2S/c1-10-5-6-12(16)8-13(10)18-14(19)4-3-7-21-15-17-11(2)9-20-15/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKeyLQULAGPBNKXMHA-UHFFFAOYSA-N
XLogP3.38
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6472287
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 15944374
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9423614
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9422950
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9458380
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 55664933
3-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]aniline
CID 106921977
2-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]aniline
CID 106921978
3-Fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]aniline
CID 106921979
4-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]aniline
CID 106921988
N-(5-amino-2-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922027
N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922028

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide (CID 106922113) is N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide is Cc1coc(SCCCC(=O)Nc2cc(N)ccc2C)n1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
The InChIKey is LQULAGPBNKXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-5-6-12(16)8-13(10)18-14(19)4-3-7-21-15-17-11(2)9-20-15/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide has a molecular weight of 305.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 106922113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).