[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine

C10H8ClFN2O — CID 79139055

IUPAC[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1-c1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFN2O/c11-6-2-1-3-7(12)9(6)10-8(4-13)14-5-15-10/h1-3,5H,4,13H2
InChIKeyGOTZSMQODFPXQR-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.59
Rot. Bonds2

About [5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine

[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139055) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is [5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139055
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1-c1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFN2O/c11-6-2-1-3-7(12)9(6)10-8(4-13)14-5-15-10/h1-3,5H,4,13H2
InChIKeyGOTZSMQODFPXQR-UHFFFAOYSA-N
XLogP2.59
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139636
4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole
CID 79154807
[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79140024
[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139040
[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139840
[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139844
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
[2-(2-chloro-6-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82292580
[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008074
[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 107952860
4-(chloromethyl)-5-(2,6-difluoro-3-methylphenyl)-1,3-oxazole
CID 82818711
4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
CID 107101359

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine (CID 79139055) is [5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine is NCc1ncoc1-c1c(F)cccc1Cl.
What is the InChIKey of [5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is GOTZSMQODFPXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-6-2-1-3-7(12)9(6)10-8(4-13)14-5-15-10/h1-3,5H,4,13H2.
What are the key properties of [5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 226.64 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).