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

C23H23N3O3 — CID 2516750

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H23N3O3/c1-15-21(16(2)29-26-15)14-28-19-7-5-6-17(12-19)23(27)24-11-10-18-13-25-22-9-4-3-8-20(18)22/h3-9,12-13,25H,10-11,14H2,1-2H3,(H,24,27)
InChIKeyDJMQOYGLDOLZGC-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.32
Rot. Bonds7

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 2516750) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID2516750
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H23N3O3/c1-15-21(16(2)29-26-15)14-28-19-7-5-6-17(12-19)23(27)24-11-10-18-13-25-22-9-4-3-8-20(18)22/h3-9,12-13,25H,10-11,14H2,1-2H3,(H,24,27)
InChIKeyDJMQOYGLDOLZGC-UHFFFAOYSA-N
XLogP4.32
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 2516750) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide is Cc1noc(C)c1COc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is DJMQOYGLDOLZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-21(16(2)29-26-15)14-28-19-7-5-6-17(12-19)23(27)24-11-10-18-13-25-22-9-4-3-8-20(18)22/h3-9,12-13,25H,10-11,14H2,1-2H3,(H,24,27).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 2516750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).