N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide

C22H26N4O3 — CID 39692507

IUPACN-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
SMILESCc1cc(CN2CCN(C(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)CC2)on1
InChIInChI=1S/C22H26N4O3/c1-16-14-20(29-24-16)15-25-10-12-26(13-11-25)21(27)9-4-17-2-5-18(6-3-17)22(28)23-19-7-8-19/h2-6,9,14,19H,7-8,10-13,15H2,1H3,(H,23,28)/b9-4+
InChIKeyBWAFRSXBOMXGKG-RUDMXATFSA-N
MW394.48 g/mol
LogP2.23
Rot. Bonds6

About N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide (PubChem CID 39692507) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
PubChem CID39692507
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
SMILESCc1cc(CN2CCN(C(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)CC2)on1
InChIInChI=1S/C22H26N4O3/c1-16-14-20(29-24-16)15-25-10-12-26(13-11-25)21(27)9-4-17-2-5-18(6-3-17)22(28)23-19-7-8-19/h2-6,9,14,19H,7-8,10-13,15H2,1H3,(H,23,28)/b9-4+
InChIKeyBWAFRSXBOMXGKG-RUDMXATFSA-N
XLogP2.23
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[(E)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 39633785
N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide
CID 35554708
N-cyclopropyl-4-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-1-enyl]benzamide
CID 76860309
4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 31094369
(E)-3-(2,4-dimethoxyphenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 39979102
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
N-(4-methylcyclohexyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 86919305
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176
(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269599
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
N-cyclopentyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 127883228
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide (CID 39692507) is N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide is Cc1cc(CN2CCN(C(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)CC2)on1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide?
The InChIKey is BWAFRSXBOMXGKG-RUDMXATFSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-14-20(29-24-16)15-25-10-12-26(13-11-25)21(27)9-4-17-2-5-18(6-3-17)22(28)23-19-7-8-19/h2-6,9,14,19H,7-8,10-13,15H2,1H3,(H,23,28)/b9-4+.
What are the key properties of N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 39692507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).