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

C23H22N2O2 — CID 143850363

IUPAC4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine
SMILESCOc1cccc(-c2cc(C3(c4ccccc4)COC(N)=N3)ccc2C)c1
InChIInChI=1S/C23H22N2O2/c1-16-11-12-19(14-21(16)17-7-6-10-20(13-17)26-2)23(15-27-22(24)25-23)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H2,24,25)
InChIKeyJAHQVYMTKXEDSD-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.26
Rot. Bonds4

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

4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine (PubChem CID 143850363) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine
PubChem CID143850363
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine
SMILESCOc1cccc(-c2cc(C3(c4ccccc4)COC(N)=N3)ccc2C)c1
InChIInChI=1S/C23H22N2O2/c1-16-11-12-19(14-21(16)17-7-6-10-20(13-17)26-2)23(15-27-22(24)25-23)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H2,24,25)
InChIKeyJAHQVYMTKXEDSD-UHFFFAOYSA-N
XLogP4.26
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

amino (4S)-4-[4-fluoro-3-(3-methoxyphenyl)phenyl]-4-phenyl-5H-1,3-oxazole-2-carboxylate
CID 70968331
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-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine
CID 68626396
4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid
CID 87365268
4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane
CID 143850368
(4S)-4-[3-(2-fluoro-3-pyridinyl)phenyl]-4-(4-propan-2-yloxyphenyl)-5H-1,3-oxazol-2-amine
CID 67349588
2-(3-methoxyphenyl)-1,4-dimethylbenzene
CID 66641424
[[(4S)-4-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate
CID 87364761
(4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 67347783
(4S)-4-(3-bromophenyl)-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine
CID 67346654
CID 89180418
CID 89180418
CID 89180301
CID 89180301

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine?
The IUPAC name of 4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine (CID 143850363) is 4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for 4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine is COc1cccc(-c2cc(C3(c4ccccc4)COC(N)=N3)ccc2C)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine?
The InChIKey is JAHQVYMTKXEDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-11-12-19(14-21(16)17-7-6-10-20(13-17)26-2)23(15-27-22(24)25-23)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H2,24,25).
What are the key properties of 4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine?
4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine has a molecular weight of 358.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 143850363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).