2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one

C23H23N3O4 — CID 53427995

IUPAC2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one
SMILESCOc1ccc(C=CC(=O)N2CCN(C3=NC(=O)C(c4ccccc4)O3)CC2)cc1
InChIInChI=1S/C23H23N3O4/c1-29-19-10-7-17(8-11-19)9-12-20(27)25-13-15-26(16-14-25)23-24-22(28)21(30-23)18-5-3-2-4-6-18/h2-12,21H,13-16H2,1H3
InChIKeyHMRCIWZWBCJPIT-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.51
Rot. Bonds4

About 2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one

2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one (PubChem CID 53427995) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one
PubChem CID53427995
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one
SMILESCOc1ccc(C=CC(=O)N2CCN(C3=NC(=O)C(c4ccccc4)O3)CC2)cc1
InChIInChI=1S/C23H23N3O4/c1-29-19-10-7-17(8-11-19)9-12-20(27)25-13-15-26(16-14-25)23-24-22(28)21(30-23)18-5-3-2-4-6-18/h2-12,21H,13-16H2,1H3
InChIKeyHMRCIWZWBCJPIT-UHFFFAOYSA-N
XLogP2.51
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 121192090
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
(E)-3-(4-methoxyphenyl)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 108759826
(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 8969536
(E)-3-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 881729
1-(4-benzylpiperidin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 887161
(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 9158421
(E)-3-(4-methoxyphenyl)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 71795067
(E)-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 7540089
(E)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6007464
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3440273
2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid;hydrochloride
CID 20840061

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one?
The IUPAC name of 2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one (CID 53427995) is 2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for 2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one?
The canonical SMILES for 2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one is COc1ccc(C=CC(=O)N2CCN(C3=NC(=O)C(c4ccccc4)O3)CC2)cc1.
What is the InChIKey of 2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one?
The InChIKey is HMRCIWZWBCJPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-19-10-7-17(8-11-19)9-12-20(27)25-13-15-26(16-14-25)23-24-22(28)21(30-23)18-5-3-2-4-6-18/h2-12,21H,13-16H2,1H3.
What are the key properties of 2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one?
2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one has a molecular weight of 405.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one is sourced from PubChem (CID 53427995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).