2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole

C28H25NO2 — CID 21196500

IUPAC2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole
SMILESCOc1cccc(C2C=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1
InChIInChI=1S/C28H25NO2/c1-30-25-17-9-15-23(19-25)22-14-8-16-24(18-22)28-29-26(20-10-4-2-5-11-20)27(31-28)21-12-6-3-7-13-21/h2-7,9-13,15,17-19,22H,8,14,16H2,1H3
InChIKeySJLOITVVBKQCRV-UHFFFAOYSA-N
MW407.51 g/mol
LogP7.37
Rot. Bonds5

About 2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole

2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole (PubChem CID 21196500) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole
PubChem CID21196500
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC Name2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole
SMILESCOc1cccc(C2C=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1
InChIInChI=1S/C28H25NO2/c1-30-25-17-9-15-23(19-25)22-14-8-16-24(18-22)28-29-26(20-10-4-2-5-11-20)27(31-28)21-12-6-3-7-13-21/h2-7,9-13,15,17-19,22H,8,14,16H2,1H3
InChIKeySJLOITVVBKQCRV-UHFFFAOYSA-N
XLogP7.37
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole
CID 140988457
3-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methoxynaphthalen-2-ol
CID 137183963
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533
2-[3-[(3-methoxyphenyl)methyl]cyclohexyl]-4,5-diphenyl-1,3-oxazole
CID 19358458
5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 18367418
2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 21196480
2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
CID 54104212
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 18367394
3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
CID 10470825
2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole
CID 174337951
(3R,8aR)-6-(3-methoxyphenyl)-3-phenyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10804668
3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol
CID 136746121

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole (CID 21196500) is 2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole is COc1cccc(C2C=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole?
The InChIKey is SJLOITVVBKQCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c1-30-25-17-9-15-23(19-25)22-14-8-16-24(18-22)28-29-26(20-10-4-2-5-11-20)27(31-28)21-12-6-3-7-13-21/h2-7,9-13,15,17-19,22H,8,14,16H2,1H3.
What are the key properties of 2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole?
2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole has a molecular weight of 407.51 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)cyclohexen-1-yl]-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 21196500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).