4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid

C25H24F2N2O5 — CID 87365268

IUPAC4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid
SMILESCOc1ccc(F)c(-c2cccc(C3(c4ccc(OCCF)cc4)COC(N)=N3)c2)c1.O=CO
InChIInChI=1S/C24H22F2N2O3.CH2O2/c1-29-20-9-10-22(26)21(14-20)16-3-2-4-18(13-16)24(15-31-23(27)28-24)17-5-7-19(8-6-17)30-12-11-25;2-1-3/h2-10,13-14H,11-12,15H2,1H3,(H2,27,28);1H,(H,2,3)
InChIKeyKSHBNYACCFBJFS-UHFFFAOYSA-N
MW470.47 g/mol
LogP4.14
Rot. Bonds7

About 4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid

4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid (PubChem CID 87365268) has the molecular formula C25H24F2N2O5 and a molecular weight of 470.47 g/mol. Its IUPAC name is 4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid.

Molecular Properties

Compound Name4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid
PubChem CID87365268
Molecular FormulaC25H24F2N2O5
Molecular Weight470.47 g/mol
Exact Mass470.17
IUPAC Name4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid
SMILESCOc1ccc(F)c(-c2cccc(C3(c4ccc(OCCF)cc4)COC(N)=N3)c2)c1.O=CO
InChIInChI=1S/C24H22F2N2O3.CH2O2/c1-29-20-9-10-22(26)21(14-20)16-3-2-4-18(13-16)24(15-31-23(27)28-24)17-5-7-19(8-6-17)30-12-11-25;2-1-3/h2-10,13-14H,11-12,15H2,1H3,(H2,27,28);1H,(H,2,3)
InChIKeyKSHBNYACCFBJFS-UHFFFAOYSA-N
XLogP4.14
TPSA103.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane
CID 143850368
4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67349260
CID 89180301
CID 89180301
4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine
CID 143850363
amino (4S)-4-[4-fluoro-3-(3-methoxyphenyl)phenyl]-4-phenyl-5H-1,3-oxazole-2-carboxylate
CID 70968331
(4S)-4-[3-(2-fluoro-3-pyridinyl)phenyl]-4-(4-propan-2-yloxyphenyl)-5H-1,3-oxazol-2-amine
CID 67349588
4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67347587
[[(4S)-4-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate
CID 87364761
4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 123175172
4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine
CID 161115031
(4S)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine
CID 67348455
(4S)-4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-amine
CID 67345997

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid?
The IUPAC name of 4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid (CID 87365268) is 4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid.
What is the SMILES notation for 4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid?
The canonical SMILES for 4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid is COc1ccc(F)c(-c2cccc(C3(c4ccc(OCCF)cc4)COC(N)=N3)c2)c1.O=CO.
What is the InChIKey of 4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid?
The InChIKey is KSHBNYACCFBJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O3.CH2O2/c1-29-20-9-10-22(26)21(14-20)16-3-2-4-18(13-16)24(15-31-23(27)28-24)17-5-7-19(8-6-17)30-12-11-25;2-1-3/h2-10,13-14H,11-12,15H2,1H3,(H2,27,28);1H,(H,2,3).
What are the key properties of 4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid?
4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid has a molecular weight of 470.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid is sourced from PubChem (CID 87365268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).