3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide

C24H27ClN4O2 — CID 56517601

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
SMILESCN1CCN(c2ccccc2CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-28-12-14-29(15-13-28)21-5-3-2-4-19(21)16-26-23(30)10-11-24-27-17-22(31-24)18-6-8-20(25)9-7-18/h2-9,17H,10-16H2,1H3,(H,26,30)
InChIKeyRFWGVJLDMCCOQV-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.00
Rot. Bonds7

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide (PubChem CID 56517601) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
PubChem CID56517601
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
SMILESCN1CCN(c2ccccc2CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-28-12-14-29(15-13-28)21-5-3-2-4-19(21)16-26-23(30)10-11-24-27-17-22(31-24)18-6-8-20(25)9-7-18/h2-9,17H,10-16H2,1H3,(H,26,30)
InChIKeyRFWGVJLDMCCOQV-UHFFFAOYSA-N
XLogP4.00
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 43039929
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32587581
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 134012153
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043583
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
CID 26047098
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide
CID 55510199
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 56517219
N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60565951
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 16594239

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide (CID 56517601) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide is CN1CCN(c2ccccc2CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The InChIKey is RFWGVJLDMCCOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-28-12-14-29(15-13-28)21-5-3-2-4-19(21)16-26-23(30)10-11-24-27-17-22(31-24)18-6-8-20(25)9-7-18/h2-9,17H,10-16H2,1H3,(H,26,30).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide has a molecular weight of 438.96 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 56517601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).