5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine

C14H10Cl2N2O — CID 115539645

IUPAC5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine
SMILESNc1cc2oc(Cc3cccc(Cl)c3)nc2cc1Cl
InChIInChI=1S/C14H10Cl2N2O/c15-9-3-1-2-8(4-9)5-14-18-12-6-10(16)11(17)7-13(12)19-14/h1-4,6-7H,5,17H2
InChIKeyHMESBWAJAZWFGO-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.31
Rot. Bonds2

About 5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine

5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine (PubChem CID 115539645) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine
PubChem CID115539645
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine
SMILESNc1cc2oc(Cc3cccc(Cl)c3)nc2cc1Cl
InChIInChI=1S/C14H10Cl2N2O/c15-9-3-1-2-8(4-9)5-14-18-12-6-10(16)11(17)7-13(12)19-14/h1-4,6-7H,5,17H2
InChIKeyHMESBWAJAZWFGO-UHFFFAOYSA-N
XLogP4.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.31
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-chloro-2-[(3,4-dichlorophenyl)methyl]-1,3-benzoxazol-6-amine
CID 115539598
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
5-chloro-2-[2-(4-methylphenyl)ethyl]-1,3-benzoxazol-6-amine
CID 115539870
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
CID 66629043
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]aniline
CID 81434208
2-[(3-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089659
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-1,3-benzoxazol-5-amine
CID 79959763
2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089650
2-benzyl-1,3-benzoxazol-6-amine
CID 39112088
5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115539881
2-benzyl-N-[(3-chlorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089283

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine (CID 115539645) is 5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine is Nc1cc2oc(Cc3cccc(Cl)c3)nc2cc1Cl.
What is the InChIKey of 5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine?
The InChIKey is HMESBWAJAZWFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-9-3-1-2-8(4-9)5-14-18-12-6-10(16)11(17)7-13(12)19-14/h1-4,6-7H,5,17H2.
What are the key properties of 5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine?
5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine has a molecular weight of 293.15 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115539645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).