1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

C13H20F2N2O — CID 114224024

IUPAC1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCC2CCCC(F)(F)C2)oc1C
InChIInChI=1S/C13H20F2N2O/c1-9-10(2)18-12(17-9)8-16-7-11-4-3-5-13(14,15)6-11/h11,16H,3-8H2,1-2H3
InChIKeyIRLXPNDUWDLNOG-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.21
Rot. Bonds4

About 1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 114224024) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID114224024
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCC2CCCC(F)(F)C2)oc1C
InChIInChI=1S/C13H20F2N2O/c1-9-10(2)18-12(17-9)8-16-7-11-4-3-5-13(14,15)6-11/h11,16H,3-8H2,1-2H3
InChIKeyIRLXPNDUWDLNOG-UHFFFAOYSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 114224024) is 1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1nc(CNCC2CCCC(F)(F)C2)oc1C.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is IRLXPNDUWDLNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-9-10(2)18-12(17-9)8-16-7-11-4-3-5-13(14,15)6-11/h11,16H,3-8H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 258.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 114224024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).