3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol

C16H15NO3 — CID 117098273

IUPAC3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
SMILESOCCCOc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C16H15NO3/c18-9-4-10-19-13-7-8-14-15(11-13)20-16(17-14)12-5-2-1-3-6-12/h1-3,5-8,11,18H,4,9-10H2
InChIKeyLATBCUMWHVNNGA-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.26
Rot. Bonds5

About 3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol

3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol (PubChem CID 117098273) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
PubChem CID117098273
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
SMILESOCCCOc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C16H15NO3/c18-9-4-10-19-13-7-8-14-15(11-13)20-16(17-14)12-5-2-1-3-6-12/h1-3,5-8,11,18H,4,9-10H2
InChIKeyLATBCUMWHVNNGA-UHFFFAOYSA-N
XLogP3.26
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-butoxy-1,3-benzoxazol-2-yl)aniline
CID 129018379
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
(2-phenyl-1,3-benzoxazol-6-yl) pentanoate
CID 110494543
N'-[3-[4-[6-[3-[2-(dimethylamino)ethyl-methylamino]propoxy]-1,3-benzoxazol-2-yl]phenoxy]propyl]-N,N,N'-trimethylethane-1,2-diamine
CID 45137750
4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]-N-methylaniline
CID 144970941
2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole
CID 23025912
6-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]-1,3-benzoxazole
CID 142715895
(2-phenyl-1,3-benzoxazol-6-yl) 2-(4-fluorophenyl)acetate
CID 110494576
2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole
CID 141185714
(2-phenyl-1,3-benzoxazol-6-yl) 3-(4-methylphenyl)propanoate
CID 110494619
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
(2-phenyl-1,3-benzoxazol-6-yl) 2,5-difluorobenzoate
CID 110494685

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol?
The IUPAC name of 3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol (CID 117098273) is 3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol?
The canonical SMILES for 3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol is OCCCOc1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of 3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol?
The InChIKey is LATBCUMWHVNNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-9-4-10-19-13-7-8-14-15(11-13)20-16(17-14)12-5-2-1-3-6-12/h1-3,5-8,11,18H,4,9-10H2.
What are the key properties of 3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol?
3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol has a molecular weight of 269.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol is sourced from PubChem (CID 117098273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).