2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine

C10H15FN2O2 — CID 126857076

IUPAC2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine
SMILESCc1cc(CNC2CCCOC2F)on1
InChIInChI=1S/C10H15FN2O2/c1-7-5-8(15-13-7)6-12-9-3-2-4-14-10(9)11/h5,9-10,12H,2-4,6H2,1H3
InChIKeyASPFFAWHLSWIOZ-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.55
Rot. Bonds3

About 2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine

2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine (PubChem CID 126857076) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine
PubChem CID126857076
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine
SMILESCc1cc(CNC2CCCOC2F)on1
InChIInChI=1S/C10H15FN2O2/c1-7-5-8(15-13-7)6-12-9-3-2-4-14-10(9)11/h5,9-10,12H,2-4,6H2,1H3
InChIKeyASPFFAWHLSWIOZ-UHFFFAOYSA-N
XLogP1.55
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
CID 115717519
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 60712181
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549657
2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine
CID 64761102
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545774
cis-(1R,2S)-N-[(3,4-dichlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
CID 46967486
2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine
CID 106658722
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 49120592
cis-(1R,2S)-N-[(4-ethoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
CID 92593850
N-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexan-1-amine
CID 102633268
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119131911

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine?
The IUPAC name of 2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine (CID 126857076) is 2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine.
What is the SMILES notation for 2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine?
The canonical SMILES for 2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine is Cc1cc(CNC2CCCOC2F)on1.
What is the InChIKey of 2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine?
The InChIKey is ASPFFAWHLSWIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-7-5-8(15-13-7)6-12-9-3-2-4-14-10(9)11/h5,9-10,12H,2-4,6H2,1H3.
What are the key properties of 2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine?
2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine has a molecular weight of 214.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine is sourced from PubChem (CID 126857076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).