2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline

C13H8Cl2N2O2 — CID 107501142

IUPAC2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline
SMILESNc1cc(Cl)c(Cl)cc1Oc1nc2ccccc2o1
InChIInChI=1S/C13H8Cl2N2O2/c14-7-5-9(16)12(6-8(7)15)19-13-17-10-3-1-2-4-11(10)18-13/h1-6H,16H2
InChIKeyRFRVLUAMAUSYMS-UHFFFAOYSA-N
MW295.13 g/mol
LogP4.51
Rot. Bonds2

About 2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline

2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline (PubChem CID 107501142) has the molecular formula C13H8Cl2N2O2 and a molecular weight of 295.13 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline
PubChem CID107501142
Molecular FormulaC13H8Cl2N2O2
Molecular Weight295.13 g/mol
Exact Mass294.00
IUPAC Name2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline
SMILESNc1cc(Cl)c(Cl)cc1Oc1nc2ccccc2o1
InChIInChI=1S/C13H8Cl2N2O2/c14-7-5-9(16)12(6-8(7)15)19-13-17-10-3-1-2-4-11(10)18-13/h1-6H,16H2
InChIKeyRFRVLUAMAUSYMS-UHFFFAOYSA-N
XLogP4.51
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline
CID 102703092
4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417599
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-(1,3-benzothiazol-2-yloxy)-4,5-dichloroaniline
CID 107501103
3-(1,3-benzoxazol-2-yloxy)-5-bromoaniline
CID 103589190
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
4,5-dichloro-2-pyridin-2-yloxyaniline
CID 107501007
2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid
CID 61395834
2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
CID 61396354
2-(1,3-benzoxazol-2-yloxy)-5-iodobenzoic acid
CID 107732420
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole
CID 47053079
2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole
CID 145224896

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline?
The IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline (CID 107501142) is 2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline?
The canonical SMILES for 2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline is Nc1cc(Cl)c(Cl)cc1Oc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline?
The InChIKey is RFRVLUAMAUSYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2/c14-7-5-9(16)12(6-8(7)15)19-13-17-10-3-1-2-4-11(10)18-13/h1-6H,16H2.
What are the key properties of 2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline?
2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline has a molecular weight of 295.13 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline is sourced from PubChem (CID 107501142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).