2-(1-phenylethoxy)-1,3-benzoxazole

C15H13NO2 — CID 13127042

IUPAC2-(1-phenylethoxy)-1,3-benzoxazole
SMILESCC(Oc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-11(12-7-3-2-4-8-12)17-15-16-13-9-5-6-10-14(13)18-15/h2-11H,1H3
InChIKeyTXWMDTSXRBOJCO-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.97
Rot. Bonds3

About 2-(1-phenylethoxy)-1,3-benzoxazole

2-(1-phenylethoxy)-1,3-benzoxazole (PubChem CID 13127042) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(1-phenylethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-phenylethoxy)-1,3-benzoxazole
PubChem CID13127042
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(1-phenylethoxy)-1,3-benzoxazole
SMILESCC(Oc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-11(12-7-3-2-4-8-12)17-15-16-13-9-5-6-10-14(13)18-15/h2-11H,1H3
InChIKeyTXWMDTSXRBOJCO-UHFFFAOYSA-N
XLogP3.97
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-phenylethoxy)-1,3-benzoxazole 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

1,3-benzoxazol-2-yl 2-phenylpropanoate
CID 174538916
2-(2-methylpropoxy)-1,3-benzoxazole
CID 122485672
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
2-propoxy-1,3-benzoxazole
CID 23395170
2-pentoxy-1,3-benzoxazole
CID 175319075
1,3-benzoxazol-2-yl propanoate
CID 57266328
1,3-benzoxazol-2-yloxyimino-methyl-oxidoazanium
CID 58667120
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
trimethyl(1-phenylethoxy)silane
CID 519015
4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
CID 154645805

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethoxy)-1,3-benzoxazole?
The IUPAC name of 2-(1-phenylethoxy)-1,3-benzoxazole (CID 13127042) is 2-(1-phenylethoxy)-1,3-benzoxazole.
What is the SMILES notation for 2-(1-phenylethoxy)-1,3-benzoxazole?
The canonical SMILES for 2-(1-phenylethoxy)-1,3-benzoxazole is CC(Oc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-(1-phenylethoxy)-1,3-benzoxazole?
The InChIKey is TXWMDTSXRBOJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11(12-7-3-2-4-8-12)17-15-16-13-9-5-6-10-14(13)18-15/h2-11H,1H3.
What are the key properties of 2-(1-phenylethoxy)-1,3-benzoxazole?
2-(1-phenylethoxy)-1,3-benzoxazole has a molecular weight of 239.27 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethoxy)-1,3-benzoxazole is sourced from PubChem (CID 13127042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).