5-propoxy-2,1,3-benzoxadiazole

C9H10N2O2 — CID 142905316

IUPAC5-propoxy-2,1,3-benzoxadiazole
SMILESCCCOc1ccc2nonc2c1
InChIInChI=1S/C9H10N2O2/c1-2-5-12-7-3-4-8-9(6-7)11-13-10-8/h3-4,6H,2,5H2,1H3
InChIKeyDGTNWNZKSFSKHR-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.01
Rot. Bonds3

About 5-propoxy-2,1,3-benzoxadiazole

5-propoxy-2,1,3-benzoxadiazole (PubChem CID 142905316) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-propoxy-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-propoxy-2,1,3-benzoxadiazole
PubChem CID142905316
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-propoxy-2,1,3-benzoxadiazole
SMILESCCCOc1ccc2nonc2c1
InChIInChI=1S/C9H10N2O2/c1-2-5-12-7-3-4-8-9(6-7)11-13-10-8/h3-4,6H,2,5H2,1H3
InChIKeyDGTNWNZKSFSKHR-UHFFFAOYSA-N
XLogP2.01
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromoethoxy)-2,1,3-benzoxadiazole
CID 19045351
1-(2,1,3-benzoxadiazol-5-yloxy)-3,3-dimethylbutan-2-one
CID 545372
5-butoxy-2H-benzotriazole
CID 14093895
3-methyl-7-propoxyquinoline
CID 68611316
2-bromo-6-propoxy-1,3-benzothiazole
CID 97033817
1,2-dimethyl-4-propoxybenzene
CID 23549082
4-bromo-7-propoxyquinoline
CID 119087802
2-methyl-6-propoxyquinolin-4-amine
CID 62329208
ethyl 2-(2,1,3-benzoxadiazol-5-yloxymethyl)-1,3-thiazole-4-carboxylate
CID 2821817
2-ethoxy-4-propoxyaniline
CID 63677806
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-4-propoxybenzaldehyde
CID 43388404
2-(1,2,4-oxadiazol-3-ylmethoxy)-4-propoxybenzaldehyde
CID 43388449

Frequently Asked Questions

What is the IUPAC name of 5-propoxy-2,1,3-benzoxadiazole?
The IUPAC name of 5-propoxy-2,1,3-benzoxadiazole (CID 142905316) is 5-propoxy-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-propoxy-2,1,3-benzoxadiazole?
The canonical SMILES for 5-propoxy-2,1,3-benzoxadiazole is CCCOc1ccc2nonc2c1.
What is the InChIKey of 5-propoxy-2,1,3-benzoxadiazole?
The InChIKey is DGTNWNZKSFSKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-5-12-7-3-4-8-9(6-7)11-13-10-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-propoxy-2,1,3-benzoxadiazole?
5-propoxy-2,1,3-benzoxadiazole has a molecular weight of 178.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-2,1,3-benzoxadiazole is sourced from PubChem (CID 142905316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).