2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide

C19H26N4O2 — CID 18088526

IUPAC2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H26N4O2/c1-2-8-20-18(24)14-22-9-11-23(12-10-22)15-19-21-13-17(25-19)16-6-4-3-5-7-16/h3-7,13H,2,8-12,14-15H2,1H3,(H,20,24)
InChIKeyGXQRMHYJSBSISL-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.99
Rot. Bonds7

About 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide

2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 18088526) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide
PubChem CID18088526
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H26N4O2/c1-2-8-20-18(24)14-22-9-11-23(12-10-22)15-19-21-13-17(25-19)16-6-4-3-5-7-16/h3-7,13H,2,8-12,14-15H2,1H3,(H,20,24)
InChIKeyGXQRMHYJSBSISL-UHFFFAOYSA-N
XLogP1.99
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-(3-methoxypropyl)-2-[4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperazin-1-yl]acetamide
CID 55685915
2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 138004669
4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 167922914
(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 127810988
N-cyclopropyl-2-[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 48631825
2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119882198
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903258
2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882152
N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717679
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide (CID 18088526) is 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(Cc2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is GXQRMHYJSBSISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-8-20-18(24)14-22-9-11-23(12-10-22)15-19-21-13-17(25-19)16-6-4-3-5-7-16/h3-7,13H,2,8-12,14-15H2,1H3,(H,20,24).
What are the key properties of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 342.44 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 18088526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).