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

C12H22N2O2S — CID 106926006

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)Sc1nc(C)c(C)o1
InChIInChI=1S/C12H22N2O2S/c1-9(8-13-6-5-7-15-4)17-12-14-10(2)11(3)16-12/h9,13H,5-8H2,1-4H3
InChIKeyALDVXAHNSQCSJP-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.40
Rot. Bonds8

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine (PubChem CID 106926006) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine
PubChem CID106926006
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)Sc1nc(C)c(C)o1
InChIInChI=1S/C12H22N2O2S/c1-9(8-13-6-5-7-15-4)17-12-14-10(2)11(3)16-12/h9,13H,5-8H2,1-4H3
InChIKeyALDVXAHNSQCSJP-UHFFFAOYSA-N
XLogP2.40
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxypropyl)propan-1-amine
CID 62578737
N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925841
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
N-(2-methoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65041082
N-(3-methoxypropyl)-2-(3-methylphenyl)sulfanylpropan-1-amine
CID 55091998
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 106925868
2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid
CID 106925415
N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62581397
5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 75520339
N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62578490
2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62583714

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine (CID 106926006) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine is COCCCNCC(C)Sc1nc(C)c(C)o1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is ALDVXAHNSQCSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-9(8-13-6-5-7-15-4)17-12-14-10(2)11(3)16-12/h9,13H,5-8H2,1-4H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine has a molecular weight of 258.39 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 106926006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).