2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride

C15H19ClN4O3 — CID 120790973

IUPAC2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc(-c2ncon2)cc1)C1CCOCC1
InChIInChI=1S/C15H18N4O3.ClH/c16-13(10-5-7-21-8-6-10)15(20)18-12-3-1-11(2-4-12)14-17-9-22-19-14;/h1-4,9-10,13H,5-8,16H2,(H,18,20);1H
InChIKeyRXYZZSXQXXVXQG-UHFFFAOYSA-N
MW338.80 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120790973) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120790973
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc(-c2ncon2)cc1)C1CCOCC1
InChIInChI=1S/C15H18N4O3.ClH/c16-13(10-5-7-21-8-6-10)15(20)18-12-3-1-11(2-4-12)14-17-9-22-19-14;/h1-4,9-10,13H,5-8,16H2,(H,18,20);1H
InChIKeyRXYZZSXQXXVXQG-UHFFFAOYSA-N
XLogP1.85
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
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4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
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2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
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4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787891
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120790973) is 2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)Nc1ccc(-c2ncon2)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is RXYZZSXQXXVXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3.ClH/c16-13(10-5-7-21-8-6-10)15(20)18-12-3-1-11(2-4-12)14-17-9-22-19-14;/h1-4,9-10,13H,5-8,16H2,(H,18,20);1H.
What are the key properties of 2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120790973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).