2-anilino-1,3-benzoxazol-6-ol;ethane

C15H16N2O2 — CID 91286009

IUPAC2-anilino-1,3-benzoxazol-6-ol;ethane
SMILESCC.Oc1ccc2nc(Nc3ccccc3)oc2c1
InChIInChI=1S/C13H10N2O2.C2H6/c16-10-6-7-11-12(8-10)17-13(15-11)14-9-4-2-1-3-5-9;1-2/h1-8,16H,(H,14,15);1-2H3
InChIKeyYSGKJTOXLHQOSJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.30
Rot. Bonds2

About 2-anilino-1,3-benzoxazol-6-ol;ethane

2-anilino-1,3-benzoxazol-6-ol;ethane (PubChem CID 91286009) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-anilino-1,3-benzoxazol-6-ol;ethane.

Molecular Properties

Compound Name2-anilino-1,3-benzoxazol-6-ol;ethane
PubChem CID91286009
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-anilino-1,3-benzoxazol-6-ol;ethane
SMILESCC.Oc1ccc2nc(Nc3ccccc3)oc2c1
InChIInChI=1S/C13H10N2O2.C2H6/c16-10-6-7-11-12(8-10)17-13(15-11)14-9-4-2-1-3-5-9;1-2/h1-8,16H,(H,14,15);1-2H3
InChIKeyYSGKJTOXLHQOSJ-UHFFFAOYSA-N
XLogP4.30
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 90886573
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
CID 53419153
N-[4-[[4-(1,3-benzoxazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzoxazol-2-amine
CID 14688880
2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129309352
2-(4-nitroanilino)-1,3-benzoxazol-5-ol
CID 142736200
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol
CID 22733420
2-N-(4-propan-2-ylphenyl)-1,3-benzoxazole-2,6-diamine
CID 79890771
2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol
CID 156778570
4-anilinoquinazolin-6-ol;ethane
CID 91520479
2-(3-ethynylanilino)-1,3-benzoxazole-6-carboxylic acid
CID 116690362

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1,3-benzoxazol-6-ol;ethane?
The IUPAC name of 2-anilino-1,3-benzoxazol-6-ol;ethane (CID 91286009) is 2-anilino-1,3-benzoxazol-6-ol;ethane.
What is the SMILES notation for 2-anilino-1,3-benzoxazol-6-ol;ethane?
The canonical SMILES for 2-anilino-1,3-benzoxazol-6-ol;ethane is CC.Oc1ccc2nc(Nc3ccccc3)oc2c1.
What is the InChIKey of 2-anilino-1,3-benzoxazol-6-ol;ethane?
The InChIKey is YSGKJTOXLHQOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2.C2H6/c16-10-6-7-11-12(8-10)17-13(15-11)14-9-4-2-1-3-5-9;1-2/h1-8,16H,(H,14,15);1-2H3.
What are the key properties of 2-anilino-1,3-benzoxazol-6-ol;ethane?
2-anilino-1,3-benzoxazol-6-ol;ethane has a molecular weight of 256.31 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1,3-benzoxazol-6-ol;ethane is sourced from PubChem (CID 91286009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).