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

C14H23N5O — CID 66193154

IUPACN-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2ncc(C(C)(C)C)o2)nn1
InChIInChI=1S/C14H23N5O/c1-5-6-15-7-11-9-19(18-17-11)10-13-16-8-12(20-13)14(2,3)4/h8-9,15H,5-7,10H2,1-4H3
InChIKeySPOOQFXPKCJXGI-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.11
Rot. Bonds6

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

N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 66193154) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID66193154
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2ncc(C(C)(C)C)o2)nn1
InChIInChI=1S/C14H23N5O/c1-5-6-15-7-11-9-19(18-17-11)10-13-16-8-12(20-13)14(2,3)4/h8-9,15H,5-7,10H2,1-4H3
InChIKeySPOOQFXPKCJXGI-UHFFFAOYSA-N
XLogP2.11
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66205624
1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
CID 66194047
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66192968
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62440961
5-hydroxy-2-[[4-(propylaminomethyl)triazol-1-yl]methyl]pyran-4-one
CID 66191785
N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine
CID 82931017
N-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192365
N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192180
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191789
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine (CID 66193154) is N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2ncc(C(C)(C)C)o2)nn1.
What is the InChIKey of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is SPOOQFXPKCJXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-6-15-7-11-9-19(18-17-11)10-13-16-8-12(20-13)14(2,3)4/h8-9,15H,5-7,10H2,1-4H3.
What are the key properties of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66193154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).