2-[(2R)-2-phenylpropyl]-1,3-benzoxazole

C16H15NO — CID 134964619

IUPAC2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
SMILESC[C@H](Cc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-12(13-7-3-2-4-8-13)11-16-17-14-9-5-6-10-15(14)18-16/h2-10,12H,11H2,1H3/t12-/m1/s1
InChIKeyPZXNYTKYNJJHAY-GFCCVEGCSA-N
MW237.30 g/mol
LogP4.17
Rot. Bonds3

About 2-[(2R)-2-phenylpropyl]-1,3-benzoxazole

2-[(2R)-2-phenylpropyl]-1,3-benzoxazole (PubChem CID 134964619) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(2R)-2-phenylpropyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
PubChem CID134964619
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
SMILESC[C@H](Cc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C16H15NO/c1-12(13-7-3-2-4-8-13)11-16-17-14-9-5-6-10-15(14)18-16/h2-10,12H,11H2,1H3/t12-/m1/s1
InChIKeyPZXNYTKYNJJHAY-GFCCVEGCSA-N
XLogP4.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-2-phenylethyl)-1,3-benzoxazole
CID 66458807
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322
2-(3-methylbutyl)-1,3-benzoxazole;2-(2-methylpropyl)-1,3-benzoxazole
CID 177208287
1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine
CID 43118594
2-(2-bromo-3,4-dimethylpentyl)-1,3-benzoxazole
CID 66460230
2-[2-(2,4-dimethylphenyl)propyl]-1,3-benzoxazole;methane
CID 142549567
3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 100510503
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-amine
CID 43118542
2-ethyl-1,3-benzoxazole
CID 23239
2-[2-chloro-2-(3-methylphenyl)ethyl]-1,3-benzoxazole
CID 66459118
2-(1,3-benzoxazol-2-yl)-1-(3-methylphenyl)ethanol
CID 66460868
2-[2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylethyl]-1,3-benzoxazole
CID 3281371

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-phenylpropyl]-1,3-benzoxazole?
The IUPAC name of 2-[(2R)-2-phenylpropyl]-1,3-benzoxazole (CID 134964619) is 2-[(2R)-2-phenylpropyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(2R)-2-phenylpropyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(2R)-2-phenylpropyl]-1,3-benzoxazole is C[C@H](Cc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-[(2R)-2-phenylpropyl]-1,3-benzoxazole?
The InChIKey is PZXNYTKYNJJHAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15NO/c1-12(13-7-3-2-4-8-13)11-16-17-14-9-5-6-10-15(14)18-16/h2-10,12H,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-phenylpropyl]-1,3-benzoxazole?
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole has a molecular weight of 237.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-phenylpropyl]-1,3-benzoxazole is sourced from PubChem (CID 134964619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).