2-pentoxy-1,3-benzoxazole

C12H15NO2 — CID 175319075

IUPAC2-pentoxy-1,3-benzoxazole
SMILESCCCCCOc1nc2ccccc2o1
InChIInChI=1S/C12H15NO2/c1-2-3-6-9-14-12-13-10-7-4-5-8-11(10)15-12/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyXOOQBDZTGPLOMT-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.40
Rot. Bonds5

About 2-pentoxy-1,3-benzoxazole

2-pentoxy-1,3-benzoxazole (PubChem CID 175319075) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-pentoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-pentoxy-1,3-benzoxazole
PubChem CID175319075
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-pentoxy-1,3-benzoxazole
SMILESCCCCCOc1nc2ccccc2o1
InChIInChI=1S/C12H15NO2/c1-2-3-6-9-14-12-13-10-7-4-5-8-11(10)15-12/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyXOOQBDZTGPLOMT-UHFFFAOYSA-N
XLogP3.40
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propoxy-1,3-benzoxazole
CID 23395170
2-hexadecoxy-3,1-benzoxazin-4-one
CID 21360827
2-(2-methylpropoxy)-1,3-benzoxazole
CID 122485672
2-pentyl-1,3-benzoxazole
CID 23425
2-octadec-9-enoxy-3,1-benzoxazin-4-one
CID 74014450
5-fluoro-2-hexadecoxy-3,1-benzoxazin-4-one
CID 22992194
2,3-didodecoxyquinoxaline
CID 139934452
1,3-benzoxazol-2-yl propanoate
CID 57266328
2-[4-(3-fluoro-4-heptoxyphenyl)phenyl]-1,3-benzoxazole
CID 122385335
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
3-hexyl-1,4-benzoxazin-2-one
CID 102299494

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-1,3-benzoxazole?
The IUPAC name of 2-pentoxy-1,3-benzoxazole (CID 175319075) is 2-pentoxy-1,3-benzoxazole.
What is the SMILES notation for 2-pentoxy-1,3-benzoxazole?
The canonical SMILES for 2-pentoxy-1,3-benzoxazole is CCCCCOc1nc2ccccc2o1.
What is the InChIKey of 2-pentoxy-1,3-benzoxazole?
The InChIKey is XOOQBDZTGPLOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-3-6-9-14-12-13-10-7-4-5-8-11(10)15-12/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 2-pentoxy-1,3-benzoxazole?
2-pentoxy-1,3-benzoxazole has a molecular weight of 205.26 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-1,3-benzoxazole is sourced from PubChem (CID 175319075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).