5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole

C25H24N2O2S — CID 67694958

IUPAC5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1COc1ccc2c(c1)CCC(/C=C1\CSCN1)=C2
InChIInChI=1S/C25H24N2O2S/c1-17-24(27-25(29-17)19-5-3-2-4-6-19)14-28-23-10-9-20-11-18(7-8-21(20)13-23)12-22-15-30-16-26-22/h2-6,9-13,26H,7-8,14-16H2,1H3/b22-12+
InChIKeyZKOFZXDZVIQKKS-WSDLNYQXSA-N
MW416.55 g/mol
LogP5.74
Rot. Bonds5

About 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole

5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole (PubChem CID 67694958) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole
PubChem CID67694958
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1COc1ccc2c(c1)CCC(/C=C1\CSCN1)=C2
InChIInChI=1S/C25H24N2O2S/c1-17-24(27-25(29-17)19-5-3-2-4-6-19)14-28-23-10-9-20-11-18(7-8-21(20)13-23)12-22-15-30-16-26-22/h2-6,9-13,26H,7-8,14-16H2,1H3/b22-12+
InChIKeyZKOFZXDZVIQKKS-WSDLNYQXSA-N
XLogP5.74
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole with MolForge

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Related Compounds

N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine
CID 10807777
N-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]hydroxylamine
CID 10784998
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-N-methylsulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 69279617
(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 10980111
(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 142052737
(E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol
CID 139705393
N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine
CID 10569860
5-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzothiophen-2-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 139728340
3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid
CID 70283163
[3-ethoxy-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 69427333
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole (CID 67694958) is 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole is Cc1oc(-c2ccccc2)nc1COc1ccc2c(c1)CCC(/C=C1\CSCN1)=C2.
What is the InChIKey of 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole?
The InChIKey is ZKOFZXDZVIQKKS-WSDLNYQXSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-17-24(27-25(29-17)19-5-3-2-4-6-19)14-28-23-10-9-20-11-18(7-8-21(20)13-23)12-22-15-30-16-26-22/h2-6,9-13,26H,7-8,14-16H2,1H3/b22-12+.
What are the key properties of 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole?
5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole has a molecular weight of 416.55 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[[6-[(E)-1,3-thiazolidin-4-ylidenemethyl]-7,8-dihydronaphthalen-2-yl]oxymethyl]-1,3-oxazole is sourced from PubChem (CID 67694958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).