5-hexyl-2-methyl-1,3-benzoxazol-6-ol

C14H19NO2 — CID 12886748

IUPAC5-hexyl-2-methyl-1,3-benzoxazol-6-ol
SMILESCCCCCCc1cc2nc(C)oc2cc1O
InChIInChI=1S/C14H19NO2/c1-3-4-5-6-7-11-8-12-14(9-13(11)16)17-10(2)15-12/h8-9,16H,3-7H2,1-2H3
InChIKeyUDYONFWNEBMVKP-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.96
Rot. Bonds5

About 5-hexyl-2-methyl-1,3-benzoxazol-6-ol

5-hexyl-2-methyl-1,3-benzoxazol-6-ol (PubChem CID 12886748) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-hexyl-2-methyl-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name5-hexyl-2-methyl-1,3-benzoxazol-6-ol
PubChem CID12886748
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-hexyl-2-methyl-1,3-benzoxazol-6-ol
SMILESCCCCCCc1cc2nc(C)oc2cc1O
InChIInChI=1S/C14H19NO2/c1-3-4-5-6-7-11-8-12-14(9-13(11)16)17-10(2)15-12/h8-9,16H,3-7H2,1-2H3
InChIKeyUDYONFWNEBMVKP-UHFFFAOYSA-N
XLogP3.96
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
4,5-didecylbenzene-1,2-diol
CID 15667809
6-hexyl-7-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)chromen-2-one
CID 135530232
4-chloro-6-heptylbenzene-1,3-diol
CID 23195029
6-hexyl-7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 135613754
6-hexyl-7-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one
CID 135486486
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248
6-hexyl-7-hydroxy-3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 135449555
6-(2-methyl-1,3-benzoxazol-6-yl)hexanoic acid
CID 98784268
4-tricosylbenzene-1,3-diol
CID 101133990
2,3,4,5-tetradodecylphenol
CID 21465809
2-tridecylbenzene-1,4-diol
CID 19033717

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-methyl-1,3-benzoxazol-6-ol?
The IUPAC name of 5-hexyl-2-methyl-1,3-benzoxazol-6-ol (CID 12886748) is 5-hexyl-2-methyl-1,3-benzoxazol-6-ol.
What is the SMILES notation for 5-hexyl-2-methyl-1,3-benzoxazol-6-ol?
The canonical SMILES for 5-hexyl-2-methyl-1,3-benzoxazol-6-ol is CCCCCCc1cc2nc(C)oc2cc1O.
What is the InChIKey of 5-hexyl-2-methyl-1,3-benzoxazol-6-ol?
The InChIKey is UDYONFWNEBMVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-5-6-7-11-8-12-14(9-13(11)16)17-10(2)15-12/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 5-hexyl-2-methyl-1,3-benzoxazol-6-ol?
5-hexyl-2-methyl-1,3-benzoxazol-6-ol has a molecular weight of 233.31 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-methyl-1,3-benzoxazol-6-ol is sourced from PubChem (CID 12886748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).