N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine

C10H18N2O — CID 106369292

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
SMILESCCCCNCc1ncc(CC)o1
InChIInChI=1S/C10H18N2O/c1-3-5-6-11-8-10-12-7-9(4-2)13-10/h7,11H,3-6,8H2,1-2H3
InChIKeyDLDXMGYLLMCQEJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.13
Rot. Bonds6

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine (PubChem CID 106369292) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
PubChem CID106369292
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
SMILESCCCCNCc1ncc(CC)o1
InChIInChI=1S/C10H18N2O/c1-3-5-6-11-8-10-12-7-9(4-2)13-10/h7,11H,3-6,8H2,1-2H3
InChIKeyDLDXMGYLLMCQEJ-UHFFFAOYSA-N
XLogP2.13
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106371593
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
CID 106371339
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-propylthiourea
CID 106370535
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114180265
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106371299
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106378029
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 103275184
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 106371023

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine (CID 106369292) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine is CCCCNCc1ncc(CC)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine?
The InChIKey is DLDXMGYLLMCQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-6-11-8-10-12-7-9(4-2)13-10/h7,11H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 106369292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).