2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline

C14H11ClN2O — CID 107051373

IUPAC2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline
SMILESCc1ccc2oc(-c3cccc(Cl)c3N)nc2c1
InChIInChI=1S/C14H11ClN2O/c1-8-5-6-12-11(7-8)17-14(18-12)9-3-2-4-10(15)13(9)16/h2-7H,16H2,1H3
InChIKeyFSIMTEZLZZWVBR-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.04
Rot. Bonds1

About 2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline

2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline (PubChem CID 107051373) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline
PubChem CID107051373
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline
SMILESCc1ccc2oc(-c3cccc(Cl)c3N)nc2c1
InChIInChI=1S/C14H11ClN2O/c1-8-5-6-12-11(7-8)17-14(18-12)9-3-2-4-10(15)13(9)16/h2-7H,16H2,1H3
InChIKeyFSIMTEZLZZWVBR-UHFFFAOYSA-N
XLogP4.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
CID 1472067
5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine
CID 107096884
3-(5-chloro-1,3-benzoxazol-2-yl)benzene-1,2-diamine
CID 168953701
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
4-fluoro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 54937320
2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
CID 17307933
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
2-(6-chloro-1,3-benzoxazol-2-yl)-6-methylaniline
CID 81433043

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline (CID 107051373) is 2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline is Cc1ccc2oc(-c3cccc(Cl)c3N)nc2c1.
What is the InChIKey of 2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The InChIKey is FSIMTEZLZZWVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-5-6-12-11(7-8)17-14(18-12)9-3-2-4-10(15)13(9)16/h2-7H,16H2,1H3.
What are the key properties of 2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline?
2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline has a molecular weight of 258.71 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 107051373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).