4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol

C25H27ClN2O3 — CID 143850366

IUPAC4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol
SMILESCCOc1ccc(C2(c3cccc(-c4cccc(Cl)c4)c3)COC(N)=N2)cc1C.CO
InChIInChI=1S/C24H23ClN2O2.CH4O/c1-3-28-22-11-10-20(12-16(22)2)24(15-29-23(26)27-24)19-8-4-6-17(13-19)18-7-5-9-21(25)14-18;1-2/h4-14H,3,15H2,1-2H3,(H2,26,27);2H,1H3
InChIKeyZVHTWTRLPLWUNB-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.91
Rot. Bonds5

About 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol

4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol (PubChem CID 143850366) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol
PubChem CID143850366
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC Name4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol
SMILESCCOc1ccc(C2(c3cccc(-c4cccc(Cl)c4)c3)COC(N)=N2)cc1C.CO
InChIInChI=1S/C24H23ClN2O2.CH4O/c1-3-28-22-11-10-20(12-16(22)2)24(15-29-23(26)27-24)19-8-4-6-17(13-19)18-7-5-9-21(25)14-18;1-2/h4-14H,3,15H2,1-2H3,(H2,26,27);2H,1H3
InChIKeyZVHTWTRLPLWUNB-UHFFFAOYSA-N
XLogP4.91
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347062
4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67347587
(4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 67347783
[[4-[3-(3-chlorophenyl)phenyl]-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87365560
(4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine
CID 68626396
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
(4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 67346114
4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine
CID 143850363
(4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine
CID 67348182
4-[4-(2-fluoroethoxy)phenyl]-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine;formic acid
CID 87365268

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol?
The IUPAC name of 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol (CID 143850366) is 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol.
What is the SMILES notation for 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol?
The canonical SMILES for 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol is CCOc1ccc(C2(c3cccc(-c4cccc(Cl)c4)c3)COC(N)=N2)cc1C.CO.
What is the InChIKey of 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol?
The InChIKey is ZVHTWTRLPLWUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2.CH4O/c1-3-28-22-11-10-20(12-16(22)2)24(15-29-23(26)27-24)19-8-4-6-17(13-19)18-7-5-9-21(25)14-18;1-2/h4-14H,3,15H2,1-2H3,(H2,26,27);2H,1H3.
What are the key properties of 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol?
4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol has a molecular weight of 438.96 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol is sourced from PubChem (CID 143850366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).