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

C12H22N2O2S — CID 106925841

IUPACN-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
SMILESCCOCCCNCC(C)Sc1nc(C)co1
InChIInChI=1S/C12H22N2O2S/c1-4-15-7-5-6-13-8-11(3)17-12-14-10(2)9-16-12/h9,11,13H,4-8H2,1-3H3
InChIKeyYGWIHTYTWWDXBA-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.48
Rot. Bonds9

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

N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 106925841) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
PubChem CID106925841
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
SMILESCCOCCCNCC(C)Sc1nc(C)co1
InChIInChI=1S/C12H22N2O2S/c1-4-15-7-5-6-13-8-11(3)17-12-14-10(2)9-16-12/h9,11,13H,4-8H2,1-3H3
InChIKeyYGWIHTYTWWDXBA-UHFFFAOYSA-N
XLogP2.48
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 106925868
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925908
N-(3-ethoxypropyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62581950
N-(3-ethoxypropyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 55092498
N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62578490
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine
CID 106926006
N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine
CID 55091951
N-(3-ethoxypropyl)-2-(4-methylsulfonylphenyl)sulfanylpropan-1-amine
CID 63238897
2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 106924260
N-(3-ethoxypropyl)-2-[(2-methylphenyl)methylsulfanyl]propan-1-amine
CID 62770036
2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine
CID 55087538
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine (CID 106925841) is N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine is CCOCCCNCC(C)Sc1nc(C)co1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is YGWIHTYTWWDXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-4-15-7-5-6-13-8-11(3)17-12-14-10(2)9-16-12/h9,11,13H,4-8H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine?
N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 258.39 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 106925841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).