[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine

C10H8Cl2N2O — CID 65179957

IUPAC[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C10H8Cl2N2O/c11-7-3-1-2-6(10(7)12)8-5-14-9(4-13)15-8/h1-3,5H,4,13H2
InChIKeyOEXOSFYUUKCDOZ-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.11
Rot. Bonds2

About [5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine

[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65179957) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is [5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID65179957
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C10H8Cl2N2O/c11-7-3-1-2-6(10(7)12)8-5-14-9(4-13)15-8/h1-3,5H,4,13H2
InChIKeyOEXOSFYUUKCDOZ-UHFFFAOYSA-N
XLogP3.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179221
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181406
[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine
CID 65178572
5-(2-chloro-3-fluorophenyl)-2-(chloromethyl)-1,3-oxazole
CID 81461787
5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166364103
[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]methanamine
CID 65180077
[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179785
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
2-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 172737843
2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
CID 121205153
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81460936

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine (CID 65179957) is [5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine is NCc1ncc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of [5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is OEXOSFYUUKCDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c11-7-3-1-2-6(10(7)12)8-5-14-9(4-13)15-8/h1-3,5H,4,13H2.
What are the key properties of [5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine?
[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 243.09 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65179957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).