4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol

C17H17NO3 — CID 154645805

IUPAC4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(Oc2nc3ccccc3o2)cc1
InChIInChI=1S/C17H17NO3/c1-12(19)6-7-13-8-10-14(11-9-13)20-17-18-15-4-2-3-5-16(15)21-17/h2-5,8-12,19H,6-7H2,1H3
InChIKeyJHRNRMXRCJXXRS-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.93
Rot. Bonds5

About 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol

4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol (PubChem CID 154645805) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
PubChem CID154645805
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(Oc2nc3ccccc3o2)cc1
InChIInChI=1S/C17H17NO3/c1-12(19)6-7-13-8-10-14(11-9-13)20-17-18-15-4-2-3-5-16(15)21-17/h2-5,8-12,19H,6-7H2,1H3
InChIKeyJHRNRMXRCJXXRS-UHFFFAOYSA-N
XLogP3.93
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477
N-[3-[4-(1,3-benzoxazol-2-yloxy)phenyl]propyl]-N-propylbutan-2-amine
CID 71228180
N-[1-[4-(1,3-benzoxazol-2-yloxy)phenyl]pentan-3-yl]-N-methylcyclopropanamine
CID 69274191
2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole
CID 11393104
N-[[1-[2-[4-(1,3-benzoxazol-2-yloxy)phenyl]ethyl]cyclopropyl]methyl]propan-1-amine
CID 67308562
[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol
CID 79869656
N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide
CID 47983061
2-(2-methylpropoxy)-1,3-benzoxazole
CID 122485672
4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine
CID 91530142
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
(2R)-2-[[4-[4-(1,3-benzoxazol-2-yloxy)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 67110806

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol?
The IUPAC name of 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol (CID 154645805) is 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol?
The canonical SMILES for 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol is CC(O)CCc1ccc(Oc2nc3ccccc3o2)cc1.
What is the InChIKey of 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol?
The InChIKey is JHRNRMXRCJXXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(19)6-7-13-8-10-14(11-9-13)20-17-18-15-4-2-3-5-16(15)21-17/h2-5,8-12,19H,6-7H2,1H3.
What are the key properties of 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol?
4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol is sourced from PubChem (CID 154645805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).