3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide

C14H23ClN4O2 — CID 119391073

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCc1noc(Cl)c1CCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C14H23ClN4O2/c1-11-12(14(15)21-18-11)3-4-13(20)17-5-2-8-19-9-6-16-7-10-19/h16H,2-10H2,1H3,(H,17,20)
InChIKeyYZGBVVRAKDBGSZ-UHFFFAOYSA-N
MW314.82 g/mol
LogP0.98
Rot. Bonds7

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

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide (PubChem CID 119391073) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide
PubChem CID119391073
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCc1noc(Cl)c1CCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C14H23ClN4O2/c1-11-12(14(15)21-18-11)3-4-13(20)17-5-2-8-19-9-6-16-7-10-19/h16H,2-10H2,1H3,(H,17,20)
InChIKeyYZGBVVRAKDBGSZ-UHFFFAOYSA-N
XLogP0.98
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119429962
N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119392356
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891385
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119394236
3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 23006360
3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424729
3-(2,6-dichlorophenyl)-5-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 119391714
2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
CID 119391257

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide (CID 119391073) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide is Cc1noc(Cl)c1CCC(=O)NCCCN1CCNCC1.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide?
The InChIKey is YZGBVVRAKDBGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-11-12(14(15)21-18-11)3-4-13(20)17-5-2-8-19-9-6-16-7-10-19/h16H,2-10H2,1H3,(H,17,20).
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide has a molecular weight of 314.82 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 119391073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).