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

C14H20FN3O2 — CID 67270372

IUPAC4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1cc(N(CC2COC(N)=N2)C(C)C)ccc1F
InChIInChI=1S/C14H20FN3O2/c1-9(2)18(7-10-8-20-14(16)17-10)11-4-5-12(15)13(6-11)19-3/h4-6,9-10H,7-8H2,1-3H3,(H2,16,17)
InChIKeyIQRKFTOKRKYZJJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.76
Rot. Bonds5

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

4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67270372) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67270372
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1cc(N(CC2COC(N)=N2)C(C)C)ccc1F
InChIInChI=1S/C14H20FN3O2/c1-9(2)18(7-10-8-20-14(16)17-10)11-4-5-12(15)13(6-11)19-3/h4-6,9-10H,7-8H2,1-3H3,(H2,16,17)
InChIKeyIQRKFTOKRKYZJJ-UHFFFAOYSA-N
XLogP1.76
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67270372) is 4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is COc1cc(N(CC2COC(N)=N2)C(C)C)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is IQRKFTOKRKYZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9(2)18(7-10-8-20-14(16)17-10)11-4-5-12(15)13(6-11)19-3/h4-6,9-10H,7-8H2,1-3H3,(H2,16,17).
What are the key properties of 4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 281.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methoxy-N-propan-2-ylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67270372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).