4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one

C24H18N2O3 — CID 155929407

IUPAC4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(C2=NC(c3ccccc3)(c3c[nH]c4ccccc34)C(=O)O2)cc1
InChIInChI=1S/C24H18N2O3/c1-28-18-13-11-16(12-14-18)22-26-24(23(27)29-22,17-7-3-2-4-8-17)20-15-25-21-10-6-5-9-19(20)21/h2-15,25H,1H3
InChIKeyDZLRSZCNRINYHY-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.42
Rot. Bonds4

About 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one

4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one (PubChem CID 155929407) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
PubChem CID155929407
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(C2=NC(c3ccccc3)(c3c[nH]c4ccccc34)C(=O)O2)cc1
InChIInChI=1S/C24H18N2O3/c1-28-18-13-11-16(12-14-18)22-26-24(23(27)29-22,17-7-3-2-4-8-17)20-15-25-21-10-6-5-9-19(20)21/h2-15,25H,1H3
InChIKeyDZLRSZCNRINYHY-UHFFFAOYSA-N
XLogP4.42
TPSA63.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
CID 135015518
(5Z)-5-benzylidene-2-(4-methoxyphenyl)-4,4-diphenyl-1,3-oxazole
CID 14115752
phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 101263641
benzyl 2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 132566513
(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 832362
(3R)-3-hydroxy-3-(1H-indol-3-yl)-5-methoxy-1H-indol-2-one
CID 92733868
5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 135014319
1H-indol-3-yl-(4-methoxyphenyl)diazene
CID 136732360
phenyl (4S)-2-(4-methoxyphenyl)-5-oxo-4-[(4-phenoxycarbonyloxyphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 102473354
1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine
CID 682586
3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
CID 6405233
naphthalen-1-yl 2-(4-methoxyphenyl)-4-[(4-naphthalen-1-yloxycarbonyloxyphenyl)methyl]-5-oxo-1,3-oxazole-4-carboxylate
CID 53468965

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one (CID 155929407) is 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one is COc1ccc(C2=NC(c3ccccc3)(c3c[nH]c4ccccc34)C(=O)O2)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one?
The InChIKey is DZLRSZCNRINYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-28-18-13-11-16(12-14-18)22-26-24(23(27)29-22,17-7-3-2-4-8-17)20-15-25-21-10-6-5-9-19(20)21/h2-15,25H,1H3.
What are the key properties of 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one?
4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one has a molecular weight of 382.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 155929407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).