8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole

C26H31N3O3 — CID 142163058

IUPAC8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
SMILESCOc1cc2c(cc1C)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H31N3O3/c1-19-15-24-21(16-23(19)30-2)26-22(18-31-24)25(32-27-26)17-29-13-11-28(12-14-29)10-6-9-20-7-4-3-5-8-20/h3-9,15-16,22,25H,10-14,17-18H2,1-2H3/b9-6+
InChIKeyAWNYHACERXFSTB-RMKNXTFCSA-N
MW433.55 g/mol
LogP3.45
Rot. Bonds6

About 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole

8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole (PubChem CID 142163058) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole.

Molecular Properties

Compound Name8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
PubChem CID142163058
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
SMILESCOc1cc2c(cc1C)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H31N3O3/c1-19-15-24-21(16-23(19)30-2)26-22(18-31-24)25(32-27-26)17-29-13-11-28(12-14-29)10-6-9-20-7-4-3-5-8-20/h3-9,15-16,22,25H,10-14,17-18H2,1-2H3/b9-6+
InChIKeyAWNYHACERXFSTB-RMKNXTFCSA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole with MolForge

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Related Compounds

[(3aR)-8-methoxy-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-7-yl]methanol
CID 89340569
[(3R,3aS)-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-7-yl] 2-methoxyacetate
CID 11214030
(3R,3aS)-7-cyclopentyloxy-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
CID 11190988
3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-7-(nitrosomethyl)-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
CID 91396035
N,N,N'-trimethyl-N'-[3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-7-yl]ethane-1,2-diamine
CID 73087193
N-[8-ethyl-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 89334455
1-(4-methoxy-3-methylphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazine
CID 991809
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 991810
(3R,3aS)-8-methoxy-3-[[4-(quinolin-6-ylmethyl)piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
CID 101343916
1-[14-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-13,17-dioxa-4,12-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11-tetraen-4-yl]butan-1-one
CID 142811221
1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 10293563
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 1376874

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
The IUPAC name of 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole (CID 142163058) is 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole.
What is the SMILES notation for 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
The canonical SMILES for 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole is COc1cc2c(cc1C)OCC1C2=NOC1CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
The InChIKey is AWNYHACERXFSTB-RMKNXTFCSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-19-15-24-21(16-23(19)30-2)26-22(18-31-24)25(32-27-26)17-29-13-11-28(12-14-29)10-6-9-20-7-4-3-5-8-20/h3-9,15-16,22,25H,10-14,17-18H2,1-2H3/b9-6+.
What are the key properties of 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole has a molecular weight of 433.55 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole is sourced from PubChem (CID 142163058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).