2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine

C11H20N2OS — CID 106924260

IUPAC2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)CSc1nc(C)co1
InChIInChI=1S/C11H20N2OS/c1-4-5-12-6-9(2)8-15-11-13-10(3)7-14-11/h7,9,12H,4-6,8H2,1-3H3
InChIKeyGTQBWNMFJTVCKI-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.71
Rot. Bonds7

About 2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine

2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine (PubChem CID 106924260) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine
PubChem CID106924260
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)CSc1nc(C)co1
InChIInChI=1S/C11H20N2OS/c1-4-5-12-6-9(2)8-15-11-13-10(3)7-14-11/h7,9,12H,4-6,8H2,1-3H3
InChIKeyGTQBWNMFJTVCKI-UHFFFAOYSA-N
XLogP2.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
CID 106933459
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 106925868
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 106925866
1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol
CID 22367311
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925908
2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]butane-1-thiol
CID 106928123
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 106927754
2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-nitro-N-propylaniline
CID 107352852
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925841
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol
CID 106923608
N-[[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
CID 106926626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine (CID 106924260) is 2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine is CCCNCC(C)CSc1nc(C)co1.
What is the InChIKey of 2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
The InChIKey is GTQBWNMFJTVCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-5-12-6-9(2)8-15-11-13-10(3)7-14-11/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine is sourced from PubChem (CID 106924260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).