2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole

C22H25N3O2 — CID 50964782

IUPAC2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
SMILESCOc1ccc(/C=C/CN2CCN(c3nc4cc(C)ccc4o3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-17-5-10-21-20(16-17)23-22(27-21)25-14-12-24(13-15-25)11-3-4-18-6-8-19(26-2)9-7-18/h3-10,16H,11-15H2,1-2H3/b4-3+
InChIKeyPMRVDALXAOMSAS-ONEGZZNKSA-N
MW363.46 g/mol
LogP3.98
Rot. Bonds5

About 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole

2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole (PubChem CID 50964782) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
PubChem CID50964782
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
SMILESCOc1ccc(/C=C/CN2CCN(c3nc4cc(C)ccc4o3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-17-5-10-21-20(16-17)23-22(27-21)25-14-12-24(13-15-25)11-3-4-18-6-8-19(26-2)9-7-18/h3-10,16H,11-15H2,1-2H3/b4-3+
InChIKeyPMRVDALXAOMSAS-ONEGZZNKSA-N
XLogP3.98
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
CID 155516154
5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 154762657
1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-pyridin-3-ylpiperazine
CID 70758434
(E)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 89246047
5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole
CID 91643350
2-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 122143987
3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982695
[3-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752858
5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900128
2-(2-methoxyethylamino)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone
CID 119879956
2-[4-(1H-indazol-6-ylmethyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 127720538
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole (CID 50964782) is 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole is COc1ccc(/C=C/CN2CCN(c3nc4cc(C)ccc4o3)CC2)cc1.
What is the InChIKey of 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole?
The InChIKey is PMRVDALXAOMSAS-ONEGZZNKSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-5-10-21-20(16-17)23-22(27-21)25-14-12-24(13-15-25)11-3-4-18-6-8-19(26-2)9-7-18/h3-10,16H,11-15H2,1-2H3/b4-3+.
What are the key properties of 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole?
2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole has a molecular weight of 363.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 50964782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).