1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine

C11H17N5O — CID 106229354

IUPAC1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2ncoc2C)nn1
InChIInChI=1S/C11H17N5O/c1-3-4-9(12)11-6-16(15-14-11)5-10-8(2)17-7-13-10/h6-7,9H,3-5,12H2,1-2H3
InChIKeyDNFJINLYZLAWJP-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.42
Rot. Bonds5

About 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine

1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine (PubChem CID 106229354) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine
PubChem CID106229354
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2ncoc2C)nn1
InChIInChI=1S/C11H17N5O/c1-3-4-9(12)11-6-16(15-14-11)5-10-8(2)17-7-13-10/h6-7,9H,3-5,12H2,1-2H3
InChIKeyDNFJINLYZLAWJP-UHFFFAOYSA-N
XLogP1.42
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 114419645
1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161127
1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161205
1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229058
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229143
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229633
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]butan-1-amine
CID 114161233
1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229223
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
CID 106228916
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229070
1-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229491

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine (CID 106229354) is 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine is CCCC(N)c1cn(Cc2ncoc2C)nn1.
What is the InChIKey of 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine?
The InChIKey is DNFJINLYZLAWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-4-9(12)11-6-16(15-14-11)5-10-8(2)17-7-13-10/h6-7,9H,3-5,12H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine?
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine is sourced from PubChem (CID 106229354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).