phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone

C30H22N2O2 — CID 135897831

IUPACphenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone
SMILESO=C(c1ccccc1)C1C(c2c(-c3ccccc3)[nH]c3ccccc23)=NOC1c1ccccc1
InChIInChI=1S/C30H22N2O2/c33-29(21-14-6-2-7-15-21)26-28(32-34-30(26)22-16-8-3-9-17-22)25-23-18-10-11-19-24(23)31-27(25)20-12-4-1-5-13-20/h1-19,26,30-31H
InChIKeyZWPOVZQZSALWLH-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.81
Rot. Bonds5

About phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone

phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone (PubChem CID 135897831) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone
PubChem CID135897831
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Namephenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone
SMILESO=C(c1ccccc1)C1C(c2c(-c3ccccc3)[nH]c3ccccc23)=NOC1c1ccccc1
InChIInChI=1S/C30H22N2O2/c33-29(21-14-6-2-7-15-21)26-28(32-34-30(26)22-16-8-3-9-17-22)25-23-18-10-11-19-24(23)31-27(25)20-12-4-1-5-13-20/h1-19,26,30-31H
InChIKeyZWPOVZQZSALWLH-UHFFFAOYSA-N
XLogP6.81
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone with MolForge

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Related Compounds

[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 7371850
(3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone
CID 10849287
[(4R,5R)-5-(4-chlorophenyl)-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 23643881
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
benzoic acid;9H-carbazole
CID 162147282
ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
CID 10406161
ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate
CID 11441462
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
9H-carbazole;carbonic acid
CID 67577328
2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione
CID 171393922
2-benzoyl-3-phenyl-1H-quinolin-4-one
CID 132534400
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574

Frequently Asked Questions

What is the IUPAC name of phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone?
The IUPAC name of phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone (CID 135897831) is phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone?
The canonical SMILES for phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone is O=C(c1ccccc1)C1C(c2c(-c3ccccc3)[nH]c3ccccc23)=NOC1c1ccccc1.
What is the InChIKey of phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone?
The InChIKey is ZWPOVZQZSALWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c33-29(21-14-6-2-7-15-21)26-28(32-34-30(26)22-16-8-3-9-17-22)25-23-18-10-11-19-24(23)31-27(25)20-12-4-1-5-13-20/h1-19,26,30-31H.
What are the key properties of phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone?
phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone has a molecular weight of 442.52 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 135897831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).