6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole

C13H11NO3S — CID 15750360

IUPAC6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole
SMILESCOc1ccc2c(-c3cccs3)noc2c1OC
InChIInChI=1S/C13H11NO3S/c1-15-9-6-5-8-11(10-4-3-7-18-10)14-17-12(8)13(9)16-2/h3-7H,1-2H3
InChIKeyJVWMMGGFLZNPED-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.57
Rot. Bonds3

About 6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole

6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole (PubChem CID 15750360) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole.

Molecular Properties

Compound Name6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole
PubChem CID15750360
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole
SMILESCOc1ccc2c(-c3cccs3)noc2c1OC
InChIInChI=1S/C13H11NO3S/c1-15-9-6-5-8-11(10-4-3-7-18-10)14-17-12(8)13(9)16-2/h3-7H,1-2H3
InChIKeyJVWMMGGFLZNPED-UHFFFAOYSA-N
XLogP3.57
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol
CID 173447007
6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid
CID 117109892
5-chloro-3-thiophen-2-yl-1,2-benzoxazole
CID 13404237
7-(2,5-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine
CID 134806940
7,8-dimethoxy-3-thiophen-2-ylisoquinoline
CID 177380109
(NZ)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
CID 137189891
3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500702
2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867606
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 22996753
3-methoxy-2-thiophen-2-ylthiophene
CID 18353954
(7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11546673
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 90502702

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole?
The IUPAC name of 6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole (CID 15750360) is 6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole.
What is the SMILES notation for 6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole?
The canonical SMILES for 6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole is COc1ccc2c(-c3cccs3)noc2c1OC.
What is the InChIKey of 6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole?
The InChIKey is JVWMMGGFLZNPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-15-9-6-5-8-11(10-4-3-7-18-10)14-17-12(8)13(9)16-2/h3-7H,1-2H3.
What are the key properties of 6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole?
6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole has a molecular weight of 261.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole is sourced from PubChem (CID 15750360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).