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

C14H17N5OS — CID 66194711

IUPACN-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2coc(-c3cccs3)n2)nn1
InChIInChI=1S/C14H17N5OS/c1-2-5-15-7-11-8-19(18-17-11)9-12-10-20-14(16-12)13-4-3-6-21-13/h3-4,6,8,10,15H,2,5,7,9H2,1H3
InChIKeyNKXABRKOBKYHPK-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.54
Rot. Bonds7

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

N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 66194711) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID66194711
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2coc(-c3cccs3)n2)nn1
InChIInChI=1S/C14H17N5OS/c1-2-5-15-7-11-8-19(18-17-11)9-12-10-20-14(16-12)13-4-3-6-21-13/h3-4,6,8,10,15H,2,5,7,9H2,1H3
InChIKeyNKXABRKOBKYHPK-UHFFFAOYSA-N
XLogP2.54
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66192968
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol
CID 81444859
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192578
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192964
N-[[1-(1,3-benzothiazol-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66193350
N-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192365
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194508
N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65287895
N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191986
(2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 95279658
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine (CID 66194711) is N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2coc(-c3cccs3)n2)nn1.
What is the InChIKey of N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is NKXABRKOBKYHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-5-15-7-11-8-19(18-17-11)9-12-10-20-14(16-12)13-4-3-6-21-13/h3-4,6,8,10,15H,2,5,7,9H2,1H3.
What are the key properties of N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 303.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66194711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).