5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one

C27H22N2O3 — CID 136747573

IUPAC5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one
SMILESCOc1ccc(C2=C(c3cc(C)no3)C(c3ccccc3)(c3ccccc3)C(=O)N2)cc1
InChIInChI=1S/C27H22N2O3/c1-18-17-23(32-29-18)24-25(19-13-15-22(31-2)16-14-19)28-26(30)27(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,28,30)
InChIKeyXGBKTGZNVYSPAW-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.98
Rot. Bonds5

About 5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one

5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one (PubChem CID 136747573) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one
PubChem CID136747573
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one
SMILESCOc1ccc(C2=C(c3cc(C)no3)C(c3ccccc3)(c3ccccc3)C(=O)N2)cc1
InChIInChI=1S/C27H22N2O3/c1-18-17-23(32-29-18)24-25(19-13-15-22(31-2)16-14-19)28-26(30)27(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,28,30)
InChIKeyXGBKTGZNVYSPAW-UHFFFAOYSA-N
XLogP4.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one
CID 136753324
4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one
CID 136753325
5-[2-(4-methoxyphenyl)cyclohepta[b]pyrrol-3-yl]-3-methyl-1,2-oxazole
CID 101083510
1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene
CID 134870119
2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine
CID 135912239
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
N-[(4-methoxyphenyl)methyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934937
N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936436
3-methyl-5-(2-phenylphenyl)-1,2-oxazole
CID 123870011
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one (CID 136747573) is 5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one is COc1ccc(C2=C(c3cc(C)no3)C(c3ccccc3)(c3ccccc3)C(=O)N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one?
The InChIKey is XGBKTGZNVYSPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-18-17-23(32-29-18)24-25(19-13-15-22(31-2)16-14-19)28-26(30)27(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,28,30).
What are the key properties of 5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one?
5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one has a molecular weight of 422.48 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one is sourced from PubChem (CID 136747573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).