N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine

C12H23N3OS — CID 113377887

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine
SMILESCCCNCc1coc(N(C)C(C)CSC)n1
InChIInChI=1S/C12H23N3OS/c1-5-6-13-7-11-8-16-12(14-11)15(3)10(2)9-17-4/h8,10,13H,5-7,9H2,1-4H3
InChIKeyZEIPAVZBMZGSMG-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.36
Rot. Bonds8

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine

N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine (PubChem CID 113377887) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine
PubChem CID113377887
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine
SMILESCCCNCc1coc(N(C)C(C)CSC)n1
InChIInChI=1S/C12H23N3OS/c1-5-6-13-7-11-8-16-12(14-11)15(3)10(2)9-17-4/h8,10,13H,5-7,9H2,1-4H3
InChIKeyZEIPAVZBMZGSMG-UHFFFAOYSA-N
XLogP2.36
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine 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

N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 115987724
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 112665398
4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine
CID 113377666
2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191536
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986374
4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510697
N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380930
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964246
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 115988547
N,6-dimethyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine
CID 115987730
N-[[2-(3-chloro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81324992

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine (CID 113377887) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine is CCCNCc1coc(N(C)C(C)CSC)n1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine?
The InChIKey is ZEIPAVZBMZGSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-6-13-7-11-8-16-12(14-11)15(3)10(2)9-17-4/h8,10,13H,5-7,9H2,1-4H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 113377887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).