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

C14H20N2O2 — CID 65182954

IUPACN-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(-c2c(C)oc(C)c2C)o1
InChIInChI=1S/C14H20N2O2/c1-5-15-7-6-13-16-8-12(18-13)14-9(2)10(3)17-11(14)4/h8,15H,5-7H2,1-4H3
InChIKeyMBXXECIEPNFBMU-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.01
Rot. Bonds5

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

N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65182954) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65182954
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(-c2c(C)oc(C)c2C)o1
InChIInChI=1S/C14H20N2O2/c1-5-15-7-6-13-16-8-12(18-13)14-9(2)10(3)17-11(14)4/h8,15H,5-7H2,1-4H3
InChIKeyMBXXECIEPNFBMU-UHFFFAOYSA-N
XLogP3.01
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.01
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

2-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 82817976
N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186937
3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178870
2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182949
N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183399
2-[5-(2,6-difluoro-3-nitrophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 79760084
N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183054
2-[5-(5-bromothiophen-3-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107966719
2-[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183095
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994739

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 65182954) is N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine is CCNCCc1ncc(-c2c(C)oc(C)c2C)o1.
What is the InChIKey of N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is MBXXECIEPNFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-15-7-6-13-16-8-12(18-13)14-9(2)10(3)17-11(14)4/h8,15H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65182954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).