7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine

C13H8Cl2N2O — CID 94980359

IUPAC7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
SMILESNc1cc(Cl)c2oc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C13H8Cl2N2O/c14-8-3-1-2-7(4-8)13-17-11-6-9(16)5-10(15)12(11)18-13/h1-6H,16H2
InChIKeyBRFULTIOYGARCI-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.38
Rot. Bonds1

About 7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine

7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine (PubChem CID 94980359) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
PubChem CID94980359
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
SMILESNc1cc(Cl)c2oc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C13H8Cl2N2O/c14-8-3-1-2-7(4-8)13-17-11-6-9(16)5-10(15)12(11)18-13/h1-6H,16H2
InChIKeyBRFULTIOYGARCI-UHFFFAOYSA-N
XLogP4.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.38
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-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine
CID 82233186
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
3-(5,7-dichloro-1,3-benzoxazol-2-yl)benzaldehyde
CID 50850274
methyl 4-(5-amino-7-chloro-1,3-benzoxazol-2-yl)benzoate
CID 1100880
2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676665
3-chloro-2-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 107676323
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 736272
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
[3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 81433640
7-ethyl-2-(3-iodophenyl)-1,3-benzoxazol-5-amine
CID 91673439

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine (CID 94980359) is 7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine is Nc1cc(Cl)c2oc(-c3cccc(Cl)c3)nc2c1.
What is the InChIKey of 7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine?
The InChIKey is BRFULTIOYGARCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c14-8-3-1-2-7(4-8)13-17-11-6-9(16)5-10(15)12(11)18-13/h1-6H,16H2.
What are the key properties of 7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine?
7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine has a molecular weight of 279.13 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 94980359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).