2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol

C15H13ClN2O2 — CID 81433846

IUPAC2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol
SMILESOCCNc1ccc(-c2nc3ccc(Cl)cc3o2)cc1
InChIInChI=1S/C15H13ClN2O2/c16-11-3-6-13-14(9-11)20-15(18-13)10-1-4-12(5-2-10)17-7-8-19/h1-6,9,17,19H,7-8H2
InChIKeyTWJVCPBKGOBOGQ-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.55
Rot. Bonds4

About 2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol

2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol (PubChem CID 81433846) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol
PubChem CID81433846
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol
SMILESOCCNc1ccc(-c2nc3ccc(Cl)cc3o2)cc1
InChIInChI=1S/C15H13ClN2O2/c16-11-3-6-13-14(9-11)20-15(18-13)10-1-4-12(5-2-10)17-7-8-19/h1-6,9,17,19H,7-8H2
InChIKeyTWJVCPBKGOBOGQ-UHFFFAOYSA-N
XLogP3.55
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 146733141
N-benzyl-4-(5-chloro-1,3-benzoxazol-2-yl)aniline
CID 56737121
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81433223
2-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-N-phenylprop-2-ene-1,2-diamine
CID 118900185
5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512130
N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
CID 7326619
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
2-(4-chlorophenyl)-1,3-benzoxazole-6-carbaldehyde
CID 12703739
6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole
CID 139379765
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol?
The IUPAC name of 2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol (CID 81433846) is 2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol?
The canonical SMILES for 2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol is OCCNc1ccc(-c2nc3ccc(Cl)cc3o2)cc1.
What is the InChIKey of 2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol?
The InChIKey is TWJVCPBKGOBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-11-3-6-13-14(9-11)20-15(18-13)10-1-4-12(5-2-10)17-7-8-19/h1-6,9,17,19H,7-8H2.
What are the key properties of 2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol?
2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol has a molecular weight of 288.73 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol is sourced from PubChem (CID 81433846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).