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

C14H17N5O2 — CID 66192964

IUPACN-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2cc(-c3ccco3)on2)nn1
InChIInChI=1S/C14H17N5O2/c1-2-5-15-8-12-10-19(18-16-12)9-11-7-14(21-17-11)13-4-3-6-20-13/h3-4,6-7,10,15H,2,5,8-9H2,1H3
InChIKeyMPPJMTUJFXOYLM-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.07
Rot. Bonds7

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

N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 66192964) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID66192964
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2cc(-c3ccco3)on2)nn1
InChIInChI=1S/C14H17N5O2/c1-2-5-15-8-12-10-19(18-16-12)9-11-7-14(21-17-11)13-4-3-6-20-13/h3-4,6-7,10,15H,2,5,8-9H2,1H3
InChIKeyMPPJMTUJFXOYLM-UHFFFAOYSA-N
XLogP2.07
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
CID 55071636
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66192968
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194508
N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194711
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
N-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192365
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191789
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192578
N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191986
N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194700
N-[[1-[(2-chloro-4-methylphenyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 106869351

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine (CID 66192964) is N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2cc(-c3ccco3)on2)nn1.
What is the InChIKey of N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is MPPJMTUJFXOYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-5-15-8-12-10-19(18-16-12)9-11-7-14(21-17-11)13-4-3-6-20-13/h3-4,6-7,10,15H,2,5,8-9H2,1H3.
What are the key properties of N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66192964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).