2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole

C24H18N2O3S — CID 166456975

IUPAC2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole
SMILESc1ccc(COc2nc3c(OCc4ccccc4)ccc(-c4nccs4)c3o2)cc1
InChIInChI=1S/C24H18N2O3S/c1-3-7-17(8-4-1)15-27-20-12-11-19(23-25-13-14-30-23)22-21(20)26-24(29-22)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyVRCNPIKESMTCDF-UHFFFAOYSA-N
MW414.49 g/mol
LogP6.11
Rot. Bonds7

About 2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole

2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole (PubChem CID 166456975) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole
PubChem CID166456975
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC Name2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole
SMILESc1ccc(COc2nc3c(OCc4ccccc4)ccc(-c4nccs4)c3o2)cc1
InChIInChI=1S/C24H18N2O3S/c1-3-7-17(8-4-1)15-27-20-12-11-19(23-25-13-14-30-23)22-21(20)26-24(29-22)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyVRCNPIKESMTCDF-UHFFFAOYSA-N
XLogP6.11
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-butan-2-yloxy-4-phenylmethoxy-7-(1,3-thiazol-2-yl)-1,3-benzoxazole
CID 166456999
2-[3,4-bis(phenylmethoxy)phenyl]-1,3-thiazole
CID 25131159
2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole
CID 99839545
3-[7-(4-methyl-1,3-thiazol-2-yl)-4-phenylmethoxy-1,3-benzoxazol-2-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylic acid
CID 146192051
5-phenyl-8-phenylmethoxyquinoline
CID 11809105
3-[4-(2-hydroxypropoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-2-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylic acid
CID 146191934
2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole
CID 58387591
1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride
CID 91659246
2-[[2-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-4-yl]oxy]-2,2-difluoroethanol
CID 142396092
2-[[2-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazol-4-yl]oxy]-5-(hydroxymethyl)pyridin-3-ol
CID 146215004
8-phenylmethoxyquinazoline
CID 171373765
[1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
CID 101384021

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole (CID 166456975) is 2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole is c1ccc(COc2nc3c(OCc4ccccc4)ccc(-c4nccs4)c3o2)cc1.
What is the InChIKey of 2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The InChIKey is VRCNPIKESMTCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c1-3-7-17(8-4-1)15-27-20-12-11-19(23-25-13-14-30-23)22-21(20)26-24(29-22)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2.
What are the key properties of 2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole has a molecular weight of 414.49 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(phenylmethoxy)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 166456975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).