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

C12H16FN3O — CID 25017046

IUPAC(4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@H]1COC(N)=N1)c1ccccc1F
InChIInChI=1S/C12H16FN3O/c1-2-16(7-9-8-17-12(14)15-9)11-6-4-3-5-10(11)13/h3-6,9H,2,7-8H2,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyOVKDOCVOIZSAGM-VIFPVBQESA-N
MW237.28 g/mol
LogP1.37
Rot. Bonds4

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

(4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 25017046) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is (4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID25017046
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name(4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@H]1COC(N)=N1)c1ccccc1F
InChIInChI=1S/C12H16FN3O/c1-2-16(7-9-8-17-12(14)15-9)11-6-4-3-5-10(11)13/h3-6,9H,2,7-8H2,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyOVKDOCVOIZSAGM-VIFPVBQESA-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 (4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 25017046) is (4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCN(C[C@H]1COC(N)=N1)c1ccccc1F.
What is the InChIKey of (4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is OVKDOCVOIZSAGM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16FN3O/c1-2-16(7-9-8-17-12(14)15-9)11-6-4-3-5-10(11)13/h3-6,9H,2,7-8H2,1H3,(H2,14,15)/t9-/m0/s1.
What are the key properties of (4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(N-ethyl-2-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 (4S)-4-[(N-ethyl-2-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 25017046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).