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

C20H28N4O2 — CID 18132576

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C20H28N4O2/c1-14-13-17(24-11-9-23(4)10-12-24)5-7-19(14)21-20(25)8-6-18-15(2)22-26-16(18)3/h5,7,13H,6,8-12H2,1-4H3,(H,21,25)
InChIKeyPOFIKLIIUQESCB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.92
Rot. Bonds5

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 18132576) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID18132576
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C20H28N4O2/c1-14-13-17(24-11-9-23(4)10-12-24)5-7-19(14)21-20(25)8-6-18-15(2)22-26-16(18)3/h5,7,13H,6,8-12H2,1-4H3,(H,21,25)
InChIKeyPOFIKLIIUQESCB-UHFFFAOYSA-N
XLogP2.92
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 43004526
4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
CID 18158983
N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide
CID 55878660
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
CID 112771327
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 38749303
4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
CID 4827584
2-(2-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 8025203
2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
CID 18127981
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128
N-[2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]furan-2-carboxamide
CID 18158972

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 18132576) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1c(C)noc1C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is POFIKLIIUQESCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-13-17(24-11-9-23(4)10-12-24)5-7-19(14)21-20(25)8-6-18-15(2)22-26-16(18)3/h5,7,13H,6,8-12H2,1-4H3,(H,21,25).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 356.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 18132576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).