1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine

C11H13FN2O — CID 129169608

IUPAC1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESFC1=CCCC=C1CNCc1ccon1
InChIInChI=1S/C11H13FN2O/c12-11-4-2-1-3-9(11)7-13-8-10-5-6-15-14-10/h3-6,13H,1-2,7-8H2
InChIKeyWJQHJULKZURJDE-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.34
Rot. Bonds4

About 1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine

1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine (PubChem CID 129169608) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
PubChem CID129169608
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESFC1=CCCC=C1CNCc1ccon1
InChIInChI=1S/C11H13FN2O/c12-11-4-2-1-3-9(11)7-13-8-10-5-6-15-14-10/h3-6,13H,1-2,7-8H2
InChIKeyWJQHJULKZURJDE-UHFFFAOYSA-N
XLogP2.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine (CID 129169608) is 1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine is FC1=CCCC=C1CNCc1ccon1.
What is the InChIKey of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The InChIKey is WJQHJULKZURJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-11-4-2-1-3-9(11)7-13-8-10-5-6-15-14-10/h3-6,13H,1-2,7-8H2.
What are the key properties of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine has a molecular weight of 208.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorocyclohexa-1,5-dien-1-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine is sourced from PubChem (CID 129169608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).