(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol

C16H16N2O2 — CID 97132954

IUPAC(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol
SMILESCC[C@@H](O)Cc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C16H16N2O2/c1-2-13(19)8-11-5-6-15-14(9-11)18-16(20-15)12-4-3-7-17-10-12/h3-7,9-10,13,19H,2,8H2,1H3/t13-/m1/s1
InChIKeyXOZVPYIYAXAOHN-CYBMUJFWSA-N
MW268.32 g/mol
LogP3.20
Rot. Bonds4

About (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol

(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol (PubChem CID 97132954) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol
PubChem CID97132954
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol
SMILESCC[C@@H](O)Cc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C16H16N2O2/c1-2-13(19)8-11-5-6-15-14(9-11)18-16(20-15)12-4-3-7-17-10-12/h3-7,9-10,13,19H,2,8H2,1H3/t13-/m1/s1
InChIKeyXOZVPYIYAXAOHN-CYBMUJFWSA-N
XLogP3.20
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)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

5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905169
5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469802
5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905305
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
2-pyridin-3-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158868
2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole
CID 82233469
3-methyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 4909415
2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid
CID 67405826
2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide
CID 90300807
(3E,5E)-6-methyl-7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)oxy]hepta-1,3,5-trien-3-ol
CID 145026011
5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole
CID 129228304
5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469818

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol?
The IUPAC name of (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol (CID 97132954) is (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol.
What is the SMILES notation for (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol?
The canonical SMILES for (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol is CC[C@@H](O)Cc1ccc2oc(-c3cccnc3)nc2c1.
What is the InChIKey of (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol?
The InChIKey is XOZVPYIYAXAOHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-13(19)8-11-5-6-15-14(9-11)18-16(20-15)12-4-3-7-17-10-12/h3-7,9-10,13,19H,2,8H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol?
(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol has a molecular weight of 268.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol is sourced from PubChem (CID 97132954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).