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

C24H25N3O4 — CID 2098216

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1c(C)noc1C
InChIInChI=1S/C24H25N3O4/c1-15-20(16(2)31-27-15)14-30-22-9-8-17(12-23(22)29-3)24(28)25-11-10-18-13-26-21-7-5-4-6-19(18)21/h4-9,12-13,26H,10-11,14H2,1-3H3,(H,25,28)
InChIKeyBHMSEILQRGMXOA-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.33
Rot. Bonds8

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide (PubChem CID 2098216) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
PubChem CID2098216
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1c(C)noc1C
InChIInChI=1S/C24H25N3O4/c1-15-20(16(2)31-27-15)14-30-22-9-8-17(12-23(22)29-3)24(28)25-11-10-18-13-26-21-7-5-4-6-19(18)21/h4-9,12-13,26H,10-11,14H2,1-3H3,(H,25,28)
InChIKeyBHMSEILQRGMXOA-UHFFFAOYSA-N
XLogP4.33
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide (CID 2098216) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide is COc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
The InChIKey is BHMSEILQRGMXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-20(16(2)31-27-15)14-30-22-9-8-17(12-23(22)29-3)24(28)25-11-10-18-13-26-21-7-5-4-6-19(18)21/h4-9,12-13,26H,10-11,14H2,1-3H3,(H,25,28).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide has a molecular weight of 419.48 g/mol, XLogP of 4.33, 8 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)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 2098216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).