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

C14H11ClN2O — CID 735973

IUPAC2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
SMILESCc1ccc2oc(-c3ccc(Cl)c(N)c3)nc2c1
InChIInChI=1S/C14H11ClN2O/c1-8-2-5-13-12(6-8)17-14(18-13)9-3-4-10(15)11(16)7-9/h2-7H,16H2,1H3
InChIKeyINPJHDYHUVMCDC-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.04
Rot. Bonds1

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

2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline (PubChem CID 735973) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
PubChem CID735973
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
SMILESCc1ccc2oc(-c3ccc(Cl)c(N)c3)nc2c1
InChIInChI=1S/C14H11ClN2O/c1-8-2-5-13-12(6-8)17-14(18-13)9-3-4-10(15)11(16)7-9/h2-7H,16H2,1H3
InChIKeyINPJHDYHUVMCDC-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

5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-chloro-5-[5-[(2R)-pentan-2-yl]-1,3-benzoxazol-2-yl]aniline
CID 960798
2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
CID 28692665
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 107051373
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
CID 17307933
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23961409
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50874432
2-methyl-5-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 10266812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline (CID 735973) is 2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline is Cc1ccc2oc(-c3ccc(Cl)c(N)c3)nc2c1.
What is the InChIKey of 2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline?
The InChIKey is INPJHDYHUVMCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-2-5-13-12(6-8)17-14(18-13)9-3-4-10(15)11(16)7-9/h2-7H,16H2,1H3.
What are the key properties of 2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline?
2-chloro-5-(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-5-(5-methyl-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 735973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).