2-hexyl-1,3-benzoxazole

C13H17NO — CID 23240

IUPAC2-hexyl-1,3-benzoxazole
SMILESCCCCCCc1nc2ccccc2o1
InChIInChI=1S/C13H17NO/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h6-9H,2-5,10H2,1H3
InChIKeyJQHDCQOQCPLIKR-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.95
Rot. Bonds5

About 2-hexyl-1,3-benzoxazole

2-hexyl-1,3-benzoxazole (PubChem CID 23240) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-hexyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-hexyl-1,3-benzoxazole
PubChem CID23240
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-hexyl-1,3-benzoxazole
SMILESCCCCCCc1nc2ccccc2o1
InChIInChI=1S/C13H17NO/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h6-9H,2-5,10H2,1H3
InChIKeyJQHDCQOQCPLIKR-UHFFFAOYSA-N
XLogP3.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoxazole
CID 9228
2-Methylbenzoxazole
CID 7225
2-Chlorobenzoxazole
CID 11986
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
L 696229
CID 72352
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
2-Aminobenzoxazole
CID 20707

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,3-benzoxazole?
The IUPAC name of 2-hexyl-1,3-benzoxazole (CID 23240) is 2-hexyl-1,3-benzoxazole.
What is the SMILES notation for 2-hexyl-1,3-benzoxazole?
The canonical SMILES for 2-hexyl-1,3-benzoxazole is CCCCCCc1nc2ccccc2o1.
What is the InChIKey of 2-hexyl-1,3-benzoxazole?
The InChIKey is JQHDCQOQCPLIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h6-9H,2-5,10H2,1H3.
What are the key properties of 2-hexyl-1,3-benzoxazole?
2-hexyl-1,3-benzoxazole has a molecular weight of 203.29 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,3-benzoxazole is sourced from PubChem (CID 23240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).