(E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one

C24H24N4O4 — CID 55971705

IUPAC(E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one
SMILESCc1cc(C(=O)N2CCN(C(=O)/C=C/c3ccc(OCc4ccccn4)cc3)CC2)on1
InChIInChI=1S/C24H24N4O4/c1-18-16-22(32-26-18)24(30)28-14-12-27(13-15-28)23(29)10-7-19-5-8-21(9-6-19)31-17-20-4-2-3-11-25-20/h2-11,16H,12-15,17H2,1H3/b10-7+
InChIKeyGQUXMMDEWLUCAZ-JXMROGBWSA-N
MW432.48 g/mol
LogP2.95
Rot. Bonds6

About (E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one

(E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one (PubChem CID 55971705) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is (E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one
PubChem CID55971705
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name(E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one
SMILESCc1cc(C(=O)N2CCN(C(=O)/C=C/c3ccc(OCc4ccccn4)cc3)CC2)on1
InChIInChI=1S/C24H24N4O4/c1-18-16-22(32-26-18)24(30)28-14-12-27(13-15-28)23(29)10-7-19-5-8-21(9-6-19)31-17-20-4-2-3-11-25-20/h2-11,16H,12-15,17H2,1H3/b10-7+
InChIKeyGQUXMMDEWLUCAZ-JXMROGBWSA-N
XLogP2.95
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one
CID 46399510
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 55754096
N,N-diethyl-4-[(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]piperazine-1-sulfonamide
CID 55616048
(E)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 108755409
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 55753725
(E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one
CID 46547250
(3-methyl-1,2-oxazol-5-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 128967603
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 76865457
N-[4-(azepane-1-carbonyl)phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55887105
(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 56532577
(E)-1-(azepan-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 724601
methanol;(1E,6E)-1-(2-methylpyrazol-3-yl)-7-[4-(pyridin-2-ylmethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 160761825

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one (CID 55971705) is (E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one is Cc1cc(C(=O)N2CCN(C(=O)/C=C/c3ccc(OCc4ccccn4)cc3)CC2)on1.
What is the InChIKey of (E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one?
The InChIKey is GQUXMMDEWLUCAZ-JXMROGBWSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-18-16-22(32-26-18)24(30)28-14-12-27(13-15-28)23(29)10-7-19-5-8-21(9-6-19)31-17-20-4-2-3-11-25-20/h2-11,16H,12-15,17H2,1H3/b10-7+.
What are the key properties of (E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one?
(E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one has a molecular weight of 432.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 55971705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).