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

C10H14N6O2 — CID 116641828

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(CCN)nn2)no1
InChIInChI=1S/C10H14N6O2/c1-7-4-9(14-18-7)12-10(17)6-16-5-8(2-3-11)13-15-16/h4-5H,2-3,6,11H2,1H3,(H,12,14,17)
InChIKeyPELFGCQFBFCPAI-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.29
Rot. Bonds5

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

2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 116641828) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID116641828
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(CCN)nn2)no1
InChIInChI=1S/C10H14N6O2/c1-7-4-9(14-18-7)12-10(17)6-16-5-8(2-3-11)13-15-16/h4-5H,2-3,6,11H2,1H3,(H,12,14,17)
InChIKeyPELFGCQFBFCPAI-UHFFFAOYSA-N
XLogP-0.29
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66193488
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 116642139
2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide
CID 116642329
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 116641691
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 116642311
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
2-[4-(2-aminoethyl)triazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 116642022
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 116642196
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 116642027

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 116641828) is 2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cc(CCN)nn2)no1.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is PELFGCQFBFCPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-7-4-9(14-18-7)12-10(17)6-16-5-8(2-3-11)13-15-16/h4-5H,2-3,6,11H2,1H3,(H,12,14,17).
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 250.26 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 116641828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).