4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H16FN3O — CID 67271900

IUPAC4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(CC1COC(N)=N1)c1cccc(F)c1
InChIInChI=1S/C12H16FN3O/c1-2-16(7-10-8-17-12(14)15-10)11-5-3-4-9(13)6-11/h3-6,10H,2,7-8H2,1H3,(H2,14,15)
InChIKeyUOGFUAWVJIELBS-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.37
Rot. Bonds4

About 4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67271900) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67271900
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(CC1COC(N)=N1)c1cccc(F)c1
InChIInChI=1S/C12H16FN3O/c1-2-16(7-10-8-17-12(14)15-10)11-5-3-4-9(13)6-11/h3-6,10H,2,7-8H2,1H3,(H2,14,15)
InChIKeyUOGFUAWVJIELBS-UHFFFAOYSA-N
XLogP1.37
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67271900) is 4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCN(CC1COC(N)=N1)c1cccc(F)c1.
What is the InChIKey of 4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is UOGFUAWVJIELBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-2-16(7-10-8-17-12(14)15-10)11-5-3-4-9(13)6-11/h3-6,10H,2,7-8H2,1H3,(H2,14,15).
What are the key properties of 4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 237.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67271900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).