2-hexyl-5-methoxy-1,3-benzoxazole

C14H19NO2 — CID 11276348

IUPAC2-hexyl-5-methoxy-1,3-benzoxazole
SMILESCCCCCCc1nc2cc(OC)ccc2o1
InChIInChI=1S/C14H19NO2/c1-3-4-5-6-7-14-15-12-10-11(16-2)8-9-13(12)17-14/h8-10H,3-7H2,1-2H3
InChIKeyARSPTLUZRONBIV-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.96
Rot. Bonds6

About 2-hexyl-5-methoxy-1,3-benzoxazole

2-hexyl-5-methoxy-1,3-benzoxazole (PubChem CID 11276348) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-hexyl-5-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-hexyl-5-methoxy-1,3-benzoxazole
PubChem CID11276348
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-hexyl-5-methoxy-1,3-benzoxazole
SMILESCCCCCCc1nc2cc(OC)ccc2o1
InChIInChI=1S/C14H19NO2/c1-3-4-5-6-7-14-15-12-10-11(16-2)8-9-13(12)17-14/h8-10H,3-7H2,1-2H3
InChIKeyARSPTLUZRONBIV-UHFFFAOYSA-N
XLogP3.96
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.96
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

N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine
CID 102696814
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)propyl]aniline
CID 102696845
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487
5-ethylsulfonyl-2-hexyl-1,3-benzoxazole
CID 68741368
2-(isocyanomethyl)-5-methoxy-1,3-benzoxazole
CID 83483455
2-pentyl-1,3-benzoxazole
CID 23425
3-[2-(5-methoxy-1,3-benzoxazol-2-yl)ethyl]-4,4-dimethylpentan-1-amine
CID 102697004
2-butyl-5-chloro-1,3-benzoxazole
CID 3726019
2-(bromomethyl)-5-butoxy-1,3-benzoxazole
CID 89057547
3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
CID 102696662
N-[2-(5-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696947
methyl 2-octyl-1,3-benzoxazole-6-carboxylate
CID 10732176

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-methoxy-1,3-benzoxazole?
The IUPAC name of 2-hexyl-5-methoxy-1,3-benzoxazole (CID 11276348) is 2-hexyl-5-methoxy-1,3-benzoxazole.
What is the SMILES notation for 2-hexyl-5-methoxy-1,3-benzoxazole?
The canonical SMILES for 2-hexyl-5-methoxy-1,3-benzoxazole is CCCCCCc1nc2cc(OC)ccc2o1.
What is the InChIKey of 2-hexyl-5-methoxy-1,3-benzoxazole?
The InChIKey is ARSPTLUZRONBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-5-6-7-14-15-12-10-11(16-2)8-9-13(12)17-14/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-hexyl-5-methoxy-1,3-benzoxazole?
2-hexyl-5-methoxy-1,3-benzoxazole has a molecular weight of 233.31 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-methoxy-1,3-benzoxazole is sourced from PubChem (CID 11276348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).