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

C11H10F2N2O — CID 79495143

IUPAC1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ccon2)c(F)c1
InChIInChI=1S/C11H10F2N2O/c12-9-2-1-8(11(13)5-9)6-14-7-10-3-4-16-15-10/h1-5,14H,6-7H2
InChIKeyAYRJUEQYDSVXEI-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.24
Rot. Bonds4

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

1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine (PubChem CID 79495143) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
PubChem CID79495143
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ccon2)c(F)c1
InChIInChI=1S/C11H10F2N2O/c12-9-2-1-8(11(13)5-9)6-14-7-10-3-4-16-15-10/h1-5,14H,6-7H2
InChIKeyAYRJUEQYDSVXEI-UHFFFAOYSA-N
XLogP2.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol
CID 79782151
N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 115876673
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
1-(2,4-difluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64687357
1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 79494954
1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 9115190
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine
CID 62222221
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79495336
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393758
CID 58696093
CID 58696093
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine
CID 28665051

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine (CID 79495143) is 1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine is Fc1ccc(CNCc2ccon2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The InChIKey is AYRJUEQYDSVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-9-2-1-8(11(13)5-9)6-14-7-10-3-4-16-15-10/h1-5,14H,6-7H2.
What are the key properties of 1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine has a molecular weight of 224.21 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine is sourced from PubChem (CID 79495143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).