[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine

C14H10Cl2N2O — CID 82357445

IUPAC[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
SMILESNCc1ccc2nc(-c3ccc(Cl)c(Cl)c3)oc2c1
InChIInChI=1S/C14H10Cl2N2O/c15-10-3-2-9(6-11(10)16)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,7,17H2
InChIKeyOGNNMSRIEAUAKD-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.26
Rot. Bonds2

About [2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine

[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine (PubChem CID 82357445) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
PubChem CID82357445
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
SMILESNCc1ccc2nc(-c3ccc(Cl)c(Cl)c3)oc2c1
InChIInChI=1S/C14H10Cl2N2O/c15-10-3-2-9(6-11(10)16)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,7,17H2
InChIKeyOGNNMSRIEAUAKD-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357851
[3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 82719724
2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81433223
[2-(furan-2-yl)-1,3-benzoxazol-6-yl]methanamine
CID 82357432
(4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine
CID 130449908
[4-(3,4-dichlorophenyl)phenyl]methanamine
CID 3610827
[2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357482
[3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 81433640
(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357425
[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
CID 82357703
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
[2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine
CID 82357475

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine?
The IUPAC name of [2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine (CID 82357445) is [2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine?
The canonical SMILES for [2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine is NCc1ccc2nc(-c3ccc(Cl)c(Cl)c3)oc2c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine?
The InChIKey is OGNNMSRIEAUAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-10-3-2-9(6-11(10)16)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,7,17H2.
What are the key properties of [2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine?
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine has a molecular weight of 293.15 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine is sourced from PubChem (CID 82357445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).