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

C22H32ClN3O3 — CID 120791531

IUPAC2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C22H31N3O3.ClH/c1-25(22(26)21(23)18-11-14-27-15-12-18)13-7-3-6-10-19-16-20(24-28-19)17-8-4-2-5-9-17;/h2,4-5,8-9,16,18,21H,3,6-7,10-15,23H2,1H3;1H
InChIKeyIUIGKBVSONFIQU-UHFFFAOYSA-N
MW421.97 g/mol
LogP3.69
Rot. Bonds9

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

2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride (PubChem CID 120791531) has the molecular formula C22H32ClN3O3 and a molecular weight of 421.97 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride
PubChem CID120791531
Molecular FormulaC22H32ClN3O3
Molecular Weight421.97 g/mol
Exact Mass421.21
IUPAC Name2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C22H31N3O3.ClH/c1-25(22(26)21(23)18-11-14-27-15-12-18)13-7-3-6-10-19-16-20(24-28-19)17-8-4-2-5-9-17;/h2,4-5,8-9,16,18,21H,3,6-7,10-15,23H2,1H3;1H
InChIKeyIUIGKBVSONFIQU-UHFFFAOYSA-N
XLogP3.69
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
CID 119314299
2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 120788646
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride
CID 119314286
(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide
CID 95280776
2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119767662
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide
CID 119314301
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide
CID 56513346
3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride
CID 120610036
3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide
CID 119758443
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 120801738
2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide
CID 120793870

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride (CID 120791531) is 2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride is CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride?
The InChIKey is IUIGKBVSONFIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3.ClH/c1-25(22(26)21(23)18-11-14-27-15-12-18)13-7-3-6-10-19-16-20(24-28-19)17-8-4-2-5-9-17;/h2,4-5,8-9,16,18,21H,3,6-7,10-15,23H2,1H3;1H.
What are the key properties of 2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride?
2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride is sourced from PubChem (CID 120791531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).