3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide

C19H26N4O2 — CID 119446392

IUPAC3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCc1nc(CCC(=O)NCCN2CCNCC2)oc1-c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-15-19(16-5-3-2-4-6-16)25-18(22-15)8-7-17(24)21-11-14-23-12-9-20-10-13-23/h2-6,20H,7-14H2,1H3,(H,21,24)
InChIKeyHLRKKECWPVTNSX-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.60
Rot. Bonds7

About 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide

3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 119446392) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID119446392
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCc1nc(CCC(=O)NCCN2CCNCC2)oc1-c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-15-19(16-5-3-2-4-6-16)25-18(22-15)8-7-17(24)21-11-14-23-12-9-20-10-13-23/h2-6,20H,7-14H2,1H3,(H,21,24)
InChIKeyHLRKKECWPVTNSX-UHFFFAOYSA-N
XLogP1.60
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 86897016
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 30534634
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 119451162
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120944811
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 119391777
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418573
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119446701
N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119996718
N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111425792
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445402

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide (CID 119446392) is 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide is Cc1nc(CCC(=O)NCCN2CCNCC2)oc1-c1ccccc1.
What is the InChIKey of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is HLRKKECWPVTNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-19(16-5-3-2-4-6-16)25-18(22-15)8-7-17(24)21-11-14-23-12-9-20-10-13-23/h2-6,20H,7-14H2,1H3,(H,21,24).
What are the key properties of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide?
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 119446392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).