3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride

C22H26ClN3O2 — CID 120610036

IUPAC3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride
SMILESCN(CCCc1cc(-c2ccccc2)no1)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C22H25N3O2.ClH/c1-25(22(26)14-13-17-8-5-6-12-20(17)23)15-7-11-19-16-21(24-27-19)18-9-3-2-4-10-18;/h2-6,8-10,12,16H,7,11,13-15,23H2,1H3;1H
InChIKeyUAWSCZXFQMBNGD-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.37
Rot. Bonds8

About 3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride (PubChem CID 120610036) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride
PubChem CID120610036
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride
SMILESCN(CCCc1cc(-c2ccccc2)no1)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C22H25N3O2.ClH/c1-25(22(26)14-13-17-8-5-6-12-20(17)23)15-7-11-19-16-21(24-27-19)18-9-3-2-4-10-18;/h2-6,8-10,12,16H,7,11,13-15,23H2,1H3;1H
InChIKeyUAWSCZXFQMBNGD-UHFFFAOYSA-N
XLogP4.37
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
CID 51106000
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
CID 51106001
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
CID 119314299
N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938140
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
CID 97185208
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride (CID 120610036) is 3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride is CN(CCCc1cc(-c2ccccc2)no1)C(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride?
The InChIKey is UAWSCZXFQMBNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.ClH/c1-25(22(26)14-13-17-8-5-6-12-20(17)23)15-7-11-19-16-21(24-27-19)18-9-3-2-4-10-18;/h2-6,8-10,12,16H,7,11,13-15,23H2,1H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120610036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).