2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C13H20N6O2 — CID 66193511

IUPAC2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCCNCc1cn(CC(=O)Nc2cc(C(C)C)no2)nn1
InChIInChI=1S/C13H20N6O2/c1-4-14-6-10-7-19(18-16-10)8-12(20)15-13-5-11(9(2)3)17-21-13/h5,7,9,14H,4,6,8H2,1-3H3,(H,15,20)
InChIKeyNQFQPSSQAJHIQH-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.14
Rot. Bonds7

About 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 66193511) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID66193511
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCCNCc1cn(CC(=O)Nc2cc(C(C)C)no2)nn1
InChIInChI=1S/C13H20N6O2/c1-4-14-6-10-7-19(18-16-10)8-12(20)15-13-5-11(9(2)3)17-21-13/h5,7,9,14H,4,6,8H2,1-3H3,(H,15,20)
InChIKeyNQFQPSSQAJHIQH-UHFFFAOYSA-N
XLogP1.14
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(ethylaminomethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66193488
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66193137
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 66194493
N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192540
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 116642275
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66194085
2-(2-ethyl-4-methylimidazol-1-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 167794432
2-(4-methylpiperidin-1-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 17395553
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194289
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192745

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 66193511) is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CCNCc1cn(CC(=O)Nc2cc(C(C)C)no2)nn1.
What is the InChIKey of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is NQFQPSSQAJHIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-4-14-6-10-7-19(18-16-10)8-12(20)15-13-5-11(9(2)3)17-21-13/h5,7,9,14H,4,6,8H2,1-3H3,(H,15,20).
What are the key properties of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 66193511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).