4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide

C30H29N3O4 — CID 46533462

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(OCc3c(C)noc3C)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C30H29N3O4/c1-19-28(20(2)37-33-19)18-36-24-14-10-22(11-15-24)30(34)32-16-26(21-8-12-23(35-3)13-9-21)27-17-31-29-7-5-4-6-25(27)29/h4-15,17,26,31H,16,18H2,1-3H3,(H,32,34)
InChIKeyLRBJIXKBYKNRDW-UHFFFAOYSA-N
MW495.58 g/mol
LogP5.92
Rot. Bonds9

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 46533462) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID46533462
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(OCc3c(C)noc3C)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C30H29N3O4/c1-19-28(20(2)37-33-19)18-36-24-14-10-22(11-15-24)30(34)32-16-26(21-8-12-23(35-3)13-9-21)27-17-31-29-7-5-4-6-25(27)29/h4-15,17,26,31H,16,18H2,1-3H3,(H,32,34)
InChIKeyLRBJIXKBYKNRDW-UHFFFAOYSA-N
XLogP5.92
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 60521295
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55532269
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 55395701

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide (CID 46533462) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(CNC(=O)c2ccc(OCc3c(C)noc3C)cc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is LRBJIXKBYKNRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c1-19-28(20(2)37-33-19)18-36-24-14-10-22(11-15-24)30(34)32-16-26(21-8-12-23(35-3)13-9-21)27-17-31-29-7-5-4-6-25(27)29/h4-15,17,26,31H,16,18H2,1-3H3,(H,32,34).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 495.58 g/mol, XLogP of 5.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 46533462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).