1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine

C18H26N2O — CID 106368810

IUPAC1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCCCc1ccc(C(C)NCc2ncc(CC)o2)cc1
InChIInChI=1S/C18H26N2O/c1-4-6-7-15-8-10-16(11-9-15)14(3)19-13-18-20-12-17(5-2)21-18/h8-12,14,19H,4-7,13H2,1-3H3
InChIKeyDKNOZRKHNYBWHV-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.43
Rot. Bonds8

About 1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine

1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 106368810) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID106368810
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCCCc1ccc(C(C)NCc2ncc(CC)o2)cc1
InChIInChI=1S/C18H26N2O/c1-4-6-7-15-8-10-16(11-9-15)14(3)19-13-18-20-12-17(5-2)21-18/h8-12,14,19H,4-7,13H2,1-3H3
InChIKeyDKNOZRKHNYBWHV-UHFFFAOYSA-N
XLogP4.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Hexyl-1,3-oxazol-2-yl)-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 89599842
US9815796, Example 676
CID 139268591
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 47055602
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 52586784
N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71872534
3-Fluoro-4-[[(5-methyl-1,3-oxazol-2-yl)methyl-(1-methylpyrrolidin-3-yl)amino]methyl]benzonitrile
CID 71927235
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
CID 71928343
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928366
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928368
N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 71928396
N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 71928404
2-[[3-[Methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 71928410

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 106368810) is 1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine is CCCCc1ccc(C(C)NCc2ncc(CC)o2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is DKNOZRKHNYBWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-6-7-15-8-10-16(11-9-15)14(3)19-13-18-20-12-17(5-2)21-18/h8-12,14,19H,4-7,13H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 106368810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).