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

C13H18FN3O2 — CID 25016021

IUPAC(4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@@H]1COC(N)=N1)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H18FN3O2/c1-3-17(7-9-8-19-13(15)16-9)10-4-5-11(14)12(6-10)18-2/h4-6,9H,3,7-8H2,1-2H3,(H2,15,16)/t9-/m1/s1
InChIKeyOXZNJYOBUYBXHU-SECBINFHSA-N
MW267.30 g/mol
LogP1.37
Rot. Bonds5

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

(4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 25016021) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is (4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID25016021
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name(4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@@H]1COC(N)=N1)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H18FN3O2/c1-3-17(7-9-8-19-13(15)16-9)10-4-5-11(14)12(6-10)18-2/h4-6,9H,3,7-8H2,1-2H3,(H2,15,16)/t9-/m1/s1
InChIKeyOXZNJYOBUYBXHU-SECBINFHSA-N
XLogP1.37
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 25016021) is (4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCN(C[C@@H]1COC(N)=N1)c1ccc(F)c(OC)c1.
What is the InChIKey of (4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is OXZNJYOBUYBXHU-SECBINFHSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-3-17(7-9-8-19-13(15)16-9)10-4-5-11(14)12(6-10)18-2/h4-6,9H,3,7-8H2,1-2H3,(H2,15,16)/t9-/m1/s1.
What are the key properties of (4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 267.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(N-ethyl-4-fluoro-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 25016021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).