2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C16H20Cl2N4O3 — CID 120793827

IUPAC2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)C1CCOCC1
InChIInChI=1S/C16H19ClN4O3.ClH/c17-12-3-1-11(2-4-12)15-20-13(24-21-15)9-19-16(22)14(18)10-5-7-23-8-6-10;/h1-4,10,14H,5-9,18H2,(H,19,22);1H
InChIKeyMEZVRKYNJZXIRM-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.18
Rot. Bonds5

About 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120793827) has the molecular formula C16H20Cl2N4O3 and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120793827
Molecular FormulaC16H20Cl2N4O3
Molecular Weight387.27 g/mol
Exact Mass386.09
IUPAC Name2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)C1CCOCC1
InChIInChI=1S/C16H19ClN4O3.ClH/c17-12-3-1-11(2-4-12)15-20-13(24-21-15)9-19-16(22)14(18)10-5-7-23-8-6-10;/h1-4,10,14H,5-9,18H2,(H,19,22);1H
InChIKeyMEZVRKYNJZXIRM-UHFFFAOYSA-N
XLogP2.18
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride with MolForge

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 120785416
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-(oxan-4-yl)guanidine
CID 119160473
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethylurea
CID 6463409
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 97267211
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-cyclohexylacetamide
CID 2989974
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63346525
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645
2-amino-2-(oxan-4-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 120792568
(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide
CID 119782360
2-(4-chlorophenyl)sulfanyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132658655

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120793827) is 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is MEZVRKYNJZXIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3.ClH/c17-12-3-1-11(2-4-12)15-20-13(24-21-15)9-19-16(22)14(18)10-5-7-23-8-6-10;/h1-4,10,14H,5-9,18H2,(H,19,22);1H.
What are the key properties of 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 387.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120793827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).