7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole

C13H11NO2S — CID 10467053

IUPAC7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole
SMILESCOc1cccc2nc(-c3ccc(C)s3)oc12
InChIInChI=1S/C13H11NO2S/c1-8-6-7-11(17-8)13-14-9-4-3-5-10(15-2)12(9)16-13/h3-7H,1-2H3
InChIKeyVYZYTICTDKOJHU-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.87
Rot. Bonds2

About 7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole

7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole (PubChem CID 10467053) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole
PubChem CID10467053
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole
SMILESCOc1cccc2nc(-c3ccc(C)s3)oc12
InChIInChI=1S/C13H11NO2S/c1-8-6-7-11(17-8)13-14-9-4-3-5-10(15-2)12(9)16-13/h3-7H,1-2H3
InChIKeyVYZYTICTDKOJHU-UHFFFAOYSA-N
XLogP3.87
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-methylsulfanyl-1,3-benzoxazole
CID 130784427
2-chloro-1-(7-methoxy-1,3-benzoxazol-2-yl)ethanone
CID 131317894
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461
2-[5-(4-sulfanylidene-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazine-4-thione
CID 59140854
2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]-1,3-benzothiazole
CID 6224077
(4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
CID 18074330
4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline
CID 107209324
(1Z)-1-[2-(5-methylthiophen-2-yl)-1,3-benzoxazol-6-yl]buta-1,3-dien-1-ol
CID 142246971
2-iodo-7-methoxy-1-benzofuran
CID 147263066
2,7-dimethoxy-3-methyl-1-benzofuran
CID 70144170
N-[5-(1,3-benzoxazol-2-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 23458648
2-methoxy-1,3-benzoxazole-7-carbaldehyde
CID 131191307

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole?
The IUPAC name of 7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole (CID 10467053) is 7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole?
The canonical SMILES for 7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole is COc1cccc2nc(-c3ccc(C)s3)oc12.
What is the InChIKey of 7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole?
The InChIKey is VYZYTICTDKOJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-8-6-7-11(17-8)13-14-9-4-3-5-10(15-2)12(9)16-13/h3-7H,1-2H3.
What are the key properties of 7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole?
7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole has a molecular weight of 245.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 10467053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).