2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride

C8H13ClN4O3 — CID 167874068

IUPAC2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCC(=O)NCc1ccon1
InChIInChI=1S/C8H12N4O3.ClH/c9-3-7(13)11-5-8(14)10-4-6-1-2-15-12-6;/h1-2H,3-5,9H2,(H,10,14)(H,11,13);1H
InChIKeyHCYLPZYVDAEFFX-UHFFFAOYSA-N
MW248.67 g/mol
LogP-1.21
Rot. Bonds5

About 2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride

2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride (PubChem CID 167874068) has the molecular formula C8H13ClN4O3 and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride
PubChem CID167874068
Molecular FormulaC8H13ClN4O3
Molecular Weight248.67 g/mol
Exact Mass248.07
IUPAC Name2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCC(=O)NCc1ccon1
InChIInChI=1S/C8H12N4O3.ClH/c9-3-7(13)11-5-8(14)10-4-6-1-2-15-12-6;/h1-2H,3-5,9H2,(H,10,14)(H,11,13);1H
InChIKeyHCYLPZYVDAEFFX-UHFFFAOYSA-N
XLogP-1.21
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride (CID 167874068) is 2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride is Cl.NCC(=O)NCC(=O)NCc1ccon1.
What is the InChIKey of 2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride?
The InChIKey is HCYLPZYVDAEFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3.ClH/c9-3-7(13)11-5-8(14)10-4-6-1-2-15-12-6;/h1-2H,3-5,9H2,(H,10,14)(H,11,13);1H.
What are the key properties of 2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride?
2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride has a molecular weight of 248.67 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride is sourced from PubChem (CID 167874068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).