(R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol

C14H10ClNO2 — CID 92965984

IUPAC(R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C14H10ClNO2/c15-10-6-7-12-11(8-10)16-14(18-12)13(17)9-4-2-1-3-5-9/h1-8,13,17H/t13-/m1/s1
InChIKeyYIEURHGSXLGCMZ-CYBMUJFWSA-N
MW259.69 g/mol
LogP3.56
Rot. Bonds2

About (R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol

(R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol (PubChem CID 92965984) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is (R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol
PubChem CID92965984
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name(R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C14H10ClNO2/c15-10-6-7-12-11(8-10)16-14(18-12)13(17)9-4-2-1-3-5-9/h1-8,13,17H/t13-/m1/s1
InChIKeyYIEURHGSXLGCMZ-CYBMUJFWSA-N
XLogP3.56
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(1-chloroethyl)-1,3-benzoxazole
CID 43115623
3-amino-3-(5-chloro-1,3-benzoxazol-2-yl)propan-1-ol
CID 61229900
2-[chloro(phenyl)methyl]-5-fluoro-1,3-benzoxazole
CID 64793051
(2S)-2-amino-1-(5-chloro-1,3-benzoxazol-2-yl)-6-(methylamino)hexan-1-ol
CID 70309332
5-chloro-2-phenylsulfanyl-1,3-benzoxazole
CID 102425567
2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine
CID 65221798
5-tert-butyl-2-[chloro(phenyl)methyl]-1,3-benzoxazole
CID 43554618
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 95306094
2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 82720763
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053

Frequently Asked Questions

What is the IUPAC name of (R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol?
The IUPAC name of (R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol (CID 92965984) is (R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol.
What is the SMILES notation for (R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol?
The canonical SMILES for (R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol is O[C@H](c1ccccc1)c1nc2cc(Cl)ccc2o1.
What is the InChIKey of (R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol?
The InChIKey is YIEURHGSXLGCMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-10-6-7-12-11(8-10)16-14(18-12)13(17)9-4-2-1-3-5-9/h1-8,13,17H/t13-/m1/s1.
What are the key properties of (R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol?
(R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol has a molecular weight of 259.69 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol is sourced from PubChem (CID 92965984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).