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

C13H18N2OS — CID 65287895

IUPACN-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(-c2ccc(CC)s2)n1
InChIInChI=1S/C13H18N2OS/c1-3-7-14-8-10-9-16-13(15-10)12-6-5-11(4-2)17-12/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyADXDVOBAZCIWKL-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.47
Rot. Bonds6

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

N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 65287895) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID65287895
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(-c2ccc(CC)s2)n1
InChIInChI=1S/C13H18N2OS/c1-3-7-14-8-10-9-16-13(15-10)12-6-5-11(4-2)17-12/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyADXDVOBAZCIWKL-UHFFFAOYSA-N
XLogP3.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81261265
N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288324
N-[[2-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288376
N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288378
N-[[2-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65287939
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81307526
N-[[2-(2-nitrophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288571
N-[[2-(3-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 113461101
N-[[2-(3-chloro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81324992
N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194711
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 80740331

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 65287895) is N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1coc(-c2ccc(CC)s2)n1.
What is the InChIKey of N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is ADXDVOBAZCIWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-7-14-8-10-9-16-13(15-10)12-6-5-11(4-2)17-12/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65287895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).