N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide

C17H22N4O2 — CID 110679110

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
SMILESCN1CCN(c2ccc(NC(=O)CCc3cocn3)cc2)CC1
InChIInChI=1S/C17H22N4O2/c1-20-8-10-21(11-9-20)16-5-2-14(3-6-16)19-17(22)7-4-15-12-23-13-18-15/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,19,22)
InChIKeyZWPYMNDASGRJRV-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.00
Rot. Bonds5

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

N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide (PubChem CID 110679110) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
PubChem CID110679110
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
SMILESCN1CCN(c2ccc(NC(=O)CCc3cocn3)cc2)CC1
InChIInChI=1S/C17H22N4O2/c1-20-8-10-21(11-9-20)16-5-2-14(3-6-16)19-17(22)7-4-15-12-23-13-18-15/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,19,22)
InChIKeyZWPYMNDASGRJRV-UHFFFAOYSA-N
XLogP2.00
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.00
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

N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679108
3-imidazo[1,5-a]pyridin-3-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 110675075
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234
2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110679949
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 25408831
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798077
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880
3-(4-methylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359512
3-(4-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]propanamide
CID 110615443
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016826

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide (CID 110679110) is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide is CN1CCN(c2ccc(NC(=O)CCc3cocn3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide?
The InChIKey is ZWPYMNDASGRJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-8-10-21(11-9-20)16-5-2-14(3-6-16)19-17(22)7-4-15-12-23-13-18-15/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,19,22).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 110679110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).