[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol

C14H9Cl2NO2 — CID 82357851

IUPAC[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C14H9Cl2NO2/c15-10-3-2-9(6-11(10)16)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-6,18H,7H2
InChIKeyKCIMTZRPDCVHTC-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.29
Rot. Bonds2

About [2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol

[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol (PubChem CID 82357851) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
PubChem CID82357851
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C14H9Cl2NO2/c15-10-3-2-9(6-11(10)16)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-6,18H,7H2
InChIKeyKCIMTZRPDCVHTC-UHFFFAOYSA-N
XLogP4.29
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]methanol
CID 91681454
[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
CID 83970982
N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide
CID 137133301
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357445
3-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]propane-1,2-diol
CID 168595682
2-chloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683555
2-(3,4-dichlorophenyl)-5-(1,2,4-triazol-4-yl)-1,3-benzoxazole
CID 50881757
2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole
CID 168527045
[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357873
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357845
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetic acid;methane
CID 66706315

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol (CID 82357851) is [2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol is OCc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol?
The InChIKey is KCIMTZRPDCVHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-10-3-2-9(6-11(10)16)14-17-12-5-8(7-18)1-4-13(12)19-14/h1-6,18H,7H2.
What are the key properties of [2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol?
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol has a molecular weight of 294.14 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 82357851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).