2-propoxy-1,3-benzoxazole

C10H11NO2 — CID 23395170

IUPAC2-propoxy-1,3-benzoxazole
SMILESCCCOc1nc2ccccc2o1
InChIInChI=1S/C10H11NO2/c1-2-7-12-10-11-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3
InChIKeyOERYRXPGUAVFAB-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.62
Rot. Bonds3

About 2-propoxy-1,3-benzoxazole

2-propoxy-1,3-benzoxazole (PubChem CID 23395170) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-propoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-propoxy-1,3-benzoxazole
PubChem CID23395170
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-propoxy-1,3-benzoxazole
SMILESCCCOc1nc2ccccc2o1
InChIInChI=1S/C10H11NO2/c1-2-7-12-10-11-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3
InChIKeyOERYRXPGUAVFAB-UHFFFAOYSA-N
XLogP2.62
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pentoxy-1,3-benzoxazole
CID 175319075
2-(2-methylpropoxy)-1,3-benzoxazole
CID 122485672
1,3-benzoxazol-2-yl propanoate
CID 57266328
2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide
CID 12797660
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
1,3-benzoxazol-2-yloxyimino-methyl-oxidoazanium
CID 58667120
5-propan-2-yl-2-propoxy-3,1-benzoxazin-4-one
CID 19845761
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950
2-ethyl-1,3-benzoxazole
CID 23239
2-hexadecoxy-3,1-benzoxazin-4-one
CID 21360827
2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride
CID 71636674
2-(1-phenylethoxy)-1,3-benzoxazole
CID 13127042

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1,3-benzoxazole?
The IUPAC name of 2-propoxy-1,3-benzoxazole (CID 23395170) is 2-propoxy-1,3-benzoxazole.
What is the SMILES notation for 2-propoxy-1,3-benzoxazole?
The canonical SMILES for 2-propoxy-1,3-benzoxazole is CCCOc1nc2ccccc2o1.
What is the InChIKey of 2-propoxy-1,3-benzoxazole?
The InChIKey is OERYRXPGUAVFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-7-12-10-11-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3.
What are the key properties of 2-propoxy-1,3-benzoxazole?
2-propoxy-1,3-benzoxazole has a molecular weight of 177.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1,3-benzoxazole is sourced from PubChem (CID 23395170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).