2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine

C14H15N5O — CID 116641989

IUPAC2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ncc(-c3ccccc3)o2)nn1
InChIInChI=1S/C14H15N5O/c15-7-6-12-9-19(18-17-12)10-14-16-8-13(20-14)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,15H2
InChIKeyUBXHTPOYFJKWJV-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.48
Rot. Bonds5

About 2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine

2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 116641989) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine
PubChem CID116641989
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ncc(-c3ccccc3)o2)nn1
InChIInChI=1S/C14H15N5O/c15-7-6-12-9-19(18-17-12)10-14-16-8-13(20-14)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,15H2
InChIKeyUBXHTPOYFJKWJV-UHFFFAOYSA-N
XLogP1.48
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(bromomethyl)triazol-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 55071824
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 62394063
2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol
CID 62400785
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
2-[1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641747
2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641871
2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole
CID 8560671
1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-propyltriazol-4-amine
CID 79536608
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine
CID 116642062
3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 62394056
2-[[4-(bromomethyl)triazol-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 55071823

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine (CID 116641989) is 2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine is NCCc1cn(Cc2ncc(-c3ccccc3)o2)nn1.
What is the InChIKey of 2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is UBXHTPOYFJKWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-7-6-12-9-19(18-17-12)10-14-16-8-13(20-14)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,15H2.
What are the key properties of 2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine?
2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 269.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116641989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).