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

C14H20N2O2 — CID 65288324

IUPACN-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(-c2c(C)oc(C)c2C)n1
InChIInChI=1S/C14H20N2O2/c1-5-6-15-7-12-8-17-14(16-12)13-9(2)10(3)18-11(13)4/h8,15H,5-7H2,1-4H3
InChIKeyIFGOYXQTATXGTB-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.36
Rot. Bonds5

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

N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 65288324) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID65288324
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(-c2c(C)oc(C)c2C)n1
InChIInChI=1S/C14H20N2O2/c1-5-6-15-7-12-8-17-14(16-12)13-9(2)10(3)18-11(13)4/h8,15H,5-7H2,1-4H3
InChIKeyIFGOYXQTATXGTB-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 53578811
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 46000958
3-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10150868
Methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate
CID 20586492
[2-[5-(5-Prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine
CID 58443567
(3S)-3-[[2-(2-methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71239873
3-[[2-(2-Methylfuran-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71239874
2-(1-amino-3-methylbutyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4524128
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 24712766
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 42833559
2-({Benzyl[(furan-2-YL)methyl]amino}methyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 46000957
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
CID 46000961

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 65288324) is N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1coc(-c2c(C)oc(C)c2C)n1.
What is the InChIKey of N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is IFGOYXQTATXGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-6-15-7-12-8-17-14(16-12)13-9(2)10(3)18-11(13)4/h8,15H,5-7H2,1-4H3.
What are the key properties of N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65288324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).