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

C17H22ClN3O3 — CID 120793629

IUPAC2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ncoc1-c1ccccc1)C1CCOCC1
InChIInChI=1S/C17H21N3O3.ClH/c18-15(12-6-8-22-9-7-12)17(21)19-10-14-16(23-11-20-14)13-4-2-1-3-5-13;/h1-5,11-12,15H,6-10,18H2,(H,19,21);1H
InChIKeyJAGBTTYFKCCRDW-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.13
Rot. Bonds5

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

2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride (PubChem CID 120793629) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
PubChem CID120793629
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ncoc1-c1ccccc1)C1CCOCC1
InChIInChI=1S/C17H21N3O3.ClH/c18-15(12-6-8-22-9-7-12)17(21)19-10-14-16(23-11-20-14)13-4-2-1-3-5-13;/h1-5,11-12,15H,6-10,18H2,(H,19,21);1H
InChIKeyJAGBTTYFKCCRDW-UHFFFAOYSA-N
XLogP2.13
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 120785416
2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 120786765
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784550
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride (CID 120793629) is 2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride is Cl.NC(C(=O)NCc1ncoc1-c1ccccc1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride?
The InChIKey is JAGBTTYFKCCRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.ClH/c18-15(12-6-8-22-9-7-12)17(21)19-10-14-16(23-11-20-14)13-4-2-1-3-5-13;/h1-5,11-12,15H,6-10,18H2,(H,19,21);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120793629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).