2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide

C14H25N3O2S — CID 106925151

IUPAC2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide
SMILESCCCNC(C)(CCCCSc1nc(C)co1)C(N)=O
InChIInChI=1S/C14H25N3O2S/c1-4-8-16-14(3,12(15)18)7-5-6-9-20-13-17-11(2)10-19-13/h10,16H,4-9H2,1-3H3,(H2,15,18)
InChIKeyYPSCXECNXMVGMF-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.49
Rot. Bonds10

About 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide

2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide (PubChem CID 106925151) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide.

Molecular Properties

Compound Name2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide
PubChem CID106925151
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide
SMILESCCCNC(C)(CCCCSc1nc(C)co1)C(N)=O
InChIInChI=1S/C14H25N3O2S/c1-4-8-16-14(3,12(15)18)7-5-6-9-20-13-17-11(2)10-19-13/h10,16H,4-9H2,1-3H3,(H2,15,18)
InChIKeyYPSCXECNXMVGMF-UHFFFAOYSA-N
XLogP2.49
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide 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

methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate
CID 106925078
2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide
CID 62253671
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)hexanoic acid
CID 106925284
2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide
CID 106924972
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 63464606
2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide
CID 62267517
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methyl-2-(propylamino)pentanoate
CID 106925308
5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 62805542
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922726
methyl 2-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)hexanoate
CID 107782098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide?
The IUPAC name of 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide (CID 106925151) is 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide.
What is the SMILES notation for 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide?
The canonical SMILES for 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide is CCCNC(C)(CCCCSc1nc(C)co1)C(N)=O.
What is the InChIKey of 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide?
The InChIKey is YPSCXECNXMVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-8-16-14(3,12(15)18)7-5-6-9-20-13-17-11(2)10-19-13/h10,16H,4-9H2,1-3H3,(H2,15,18).
What are the key properties of 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide?
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide has a molecular weight of 299.44 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide is sourced from PubChem (CID 106925151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).