1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine

C11H10ClFN2O — CID 79495145

IUPAC1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESFc1cc(CNCc2ccon2)ccc1Cl
InChIInChI=1S/C11H10ClFN2O/c12-10-2-1-8(5-11(10)13)6-14-7-9-3-4-16-15-9/h1-5,14H,6-7H2
InChIKeyHAYRPUOCPMOCOJ-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine

1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine (PubChem CID 79495145) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
PubChem CID79495145
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESFc1cc(CNCc2ccon2)ccc1Cl
InChIInChI=1S/C11H10ClFN2O/c12-10-2-1-8(5-11(10)13)6-14-7-9-3-4-16-15-9/h1-5,14H,6-7H2
InChIKeyHAYRPUOCPMOCOJ-UHFFFAOYSA-N
XLogP2.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine (CID 79495145) is 1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine is Fc1cc(CNCc2ccon2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The InChIKey is HAYRPUOCPMOCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-10-2-1-8(5-11(10)13)6-14-7-9-3-4-16-15-9/h1-5,14H,6-7H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine has a molecular weight of 240.67 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine is sourced from PubChem (CID 79495145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).