(4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine

C25H26N2O4 — CID 68626396

IUPAC(4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine
SMILESCOc1cccc(COc2cccc([C@@]3(c4ccc(OC)c(C)c4)COC(N)=N3)c2)c1
InChIInChI=1S/C25H26N2O4/c1-17-12-20(10-11-23(17)29-3)25(16-31-24(26)27-25)19-7-5-9-22(14-19)30-15-18-6-4-8-21(13-18)28-2/h4-14H,15-16H2,1-3H3,(H2,26,27)/t25-/m1/s1
InChIKeyFXNBTMNZRRGLTD-RUZDIDTESA-N
MW418.49 g/mol
LogP4.18
Rot. Bonds7

About (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine

(4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine (PubChem CID 68626396) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine
PubChem CID68626396
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name(4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine
SMILESCOc1cccc(COc2cccc([C@@]3(c4ccc(OC)c(C)c4)COC(N)=N3)c2)c1
InChIInChI=1S/C25H26N2O4/c1-17-12-20(10-11-23(17)29-3)25(16-31-24(26)27-25)19-7-5-9-22(14-19)30-15-18-6-4-8-21(13-18)28-2/h4-14H,15-16H2,1-3H3,(H2,26,27)/t25-/m1/s1
InChIKeyFXNBTMNZRRGLTD-RUZDIDTESA-N
XLogP4.18
TPSA75.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine with MolForge

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Related Compounds

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
4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine
CID 143850363
4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol
CID 143850366
(4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 67346114
4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67347587
4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane
CID 143850368
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67349260
4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid
CID 87365268
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine (CID 68626396) is (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine is COc1cccc(COc2cccc([C@@]3(c4ccc(OC)c(C)c4)COC(N)=N3)c2)c1.
What is the InChIKey of (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine?
The InChIKey is FXNBTMNZRRGLTD-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-12-20(10-11-23(17)29-3)25(16-31-24(26)27-25)19-7-5-9-22(14-19)30-15-18-6-4-8-21(13-18)28-2/h4-14H,15-16H2,1-3H3,(H2,26,27)/t25-/m1/s1.
What are the key properties of (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine?
(4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine has a molecular weight of 418.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 68626396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).