N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine

C15H20N2OS — CID 106926798

IUPACN-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1Sc1nc(C)c(C)o1
InChIInChI=1S/C15H20N2OS/c1-4-9-16-10-13-7-5-6-8-14(13)19-15-17-11(2)12(3)18-15/h5-8,16H,4,9-10H2,1-3H3
InChIKeyHMTPVJGGBNPEIQ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.94
Rot. Bonds6

About N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine

N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine (PubChem CID 106926798) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
PubChem CID106926798
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1Sc1nc(C)c(C)o1
InChIInChI=1S/C15H20N2OS/c1-4-9-16-10-13-7-5-6-8-14(13)19-15-17-11(2)12(3)18-15/h5-8,16H,4,9-10H2,1-3H3
InChIKeyHMTPVJGGBNPEIQ-UHFFFAOYSA-N
XLogP3.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-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-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluorophenyl]methyl]propan-1-amine
CID 106926785
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63809843
N-[[2-(2,5-dimethylphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806875
N-[[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 106926720
N-[[4-bromo-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 106926816
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 106923251
N-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
CID 115383871
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine
CID 106923307
2-[2-(propylaminomethyl)phenyl]sulfanylethanol
CID 63807692
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953
4-ethyl-3-[2-(propylaminomethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 63807391
N-[[4-chloro-2-(2-chlorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 114864012

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine (CID 106926798) is N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1Sc1nc(C)c(C)o1.
What is the InChIKey of N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine?
The InChIKey is HMTPVJGGBNPEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-9-16-10-13-7-5-6-8-14(13)19-15-17-11(2)12(3)18-15/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine?
N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106926798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).