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

C27H22N2O2 — CID 136753324

IUPAC4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one
SMILESCc1ccc(C2(c3ccccc3)C(=O)NC(c3ccccc3)=C2c2cc(C)no2)cc1
InChIInChI=1S/C27H22N2O2/c1-18-13-15-22(16-14-18)27(21-11-7-4-8-12-21)24(23-17-19(2)29-31-23)25(28-26(27)30)20-9-5-3-6-10-20/h3-17H,1-2H3,(H,28,30)
InChIKeyHHVJHRKKOOQKKF-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.28
Rot. Bonds4

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

4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one (PubChem CID 136753324) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one
PubChem CID136753324
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one
SMILESCc1ccc(C2(c3ccccc3)C(=O)NC(c3ccccc3)=C2c2cc(C)no2)cc1
InChIInChI=1S/C27H22N2O2/c1-18-13-15-22(16-14-18)27(21-11-7-4-8-12-21)24(23-17-19(2)29-31-23)25(28-26(27)30)20-9-5-3-6-10-20/h3-17H,1-2H3,(H,28,30)
InChIKeyHHVJHRKKOOQKKF-UHFFFAOYSA-N
XLogP5.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)-3,5-diphenyl-1H-pyrrol-2-one
CID 136753325
5-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-3,3-diphenyl-1H-pyrrol-2-one
CID 136747573
3-methyl-5-(2-phenylphenyl)-1,2-oxazole
CID 123870011
1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 163598398
6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
CID 135421239
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
CID 116868966
3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid
CID 135497060
ethane;4-(4-fluorophenyl)-6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 142993502
5-(4-methylphenyl)-3,5-diphenylfuran-2-one
CID 12559993
1-(4-methylphenyl)-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione
CID 3609315
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one?
The IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one (CID 136753324) is 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one.
What is the SMILES notation for 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one?
The canonical SMILES for 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one is Cc1ccc(C2(c3ccccc3)C(=O)NC(c3ccccc3)=C2c2cc(C)no2)cc1.
What is the InChIKey of 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one?
The InChIKey is HHVJHRKKOOQKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-18-13-15-22(16-14-18)27(21-11-7-4-8-12-21)24(23-17-19(2)29-31-23)25(28-26(27)30)20-9-5-3-6-10-20/h3-17H,1-2H3,(H,28,30).
What are the key properties of 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one?
4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one has a molecular weight of 406.49 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazol-5-yl)-3-(4-methylphenyl)-3,5-diphenyl-1H-pyrrol-2-one is sourced from PubChem (CID 136753324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).