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

C12H16FN3O2 — CID 25016022

IUPAC(4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1cc(N(C)C[C@@H]2COC(N)=N2)ccc1F
InChIInChI=1S/C12H16FN3O2/c1-16(6-8-7-18-12(14)15-8)9-3-4-10(13)11(5-9)17-2/h3-5,8H,6-7H2,1-2H3,(H2,14,15)/t8-/m1/s1
InChIKeyDAZQKFGSZPQFMK-MRVPVSSYSA-N
MW253.28 g/mol
LogP0.98
Rot. Bonds4

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

(4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 25016022) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is (4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID25016022
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name(4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1cc(N(C)C[C@@H]2COC(N)=N2)ccc1F
InChIInChI=1S/C12H16FN3O2/c1-16(6-8-7-18-12(14)15-8)9-3-4-10(13)11(5-9)17-2/h3-5,8H,6-7H2,1-2H3,(H2,14,15)/t8-/m1/s1
InChIKeyDAZQKFGSZPQFMK-MRVPVSSYSA-N
XLogP0.98
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 25016022) is (4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is COc1cc(N(C)C[C@@H]2COC(N)=N2)ccc1F.
What is the InChIKey of (4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is DAZQKFGSZPQFMK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-16(6-8-7-18-12(14)15-8)9-3-4-10(13)11(5-9)17-2/h3-5,8H,6-7H2,1-2H3,(H2,14,15)/t8-/m1/s1.
What are the key properties of (4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 253.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4-fluoro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 25016022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).