N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C23H26N4O3 — CID 9209220

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H26N4O3/c28-21(10-11-22-25-23(26-30-22)18-6-2-1-3-7-18)24-16-19-8-4-5-9-20(19)17-27-12-14-29-15-13-27/h1-9H,10-17H2,(H,24,28)
InChIKeyOQUPLVDXLAGEFE-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.82
Rot. Bonds8

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 9209220) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID9209220
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H26N4O3/c28-21(10-11-22-25-23(26-30-22)18-6-2-1-3-7-18)24-16-19-8-4-5-9-20(19)17-27-12-14-29-15-13-27/h1-9H,10-17H2,(H,24,28)
InChIKeyOQUPLVDXLAGEFE-UHFFFAOYSA-N
XLogP2.82
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 9209220) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OQUPLVDXLAGEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21(10-11-22-25-23(26-30-22)18-6-2-1-3-7-18)24-16-19-8-4-5-9-20(19)17-27-12-14-29-15-13-27/h1-9H,10-17H2,(H,24,28).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 406.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 9209220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).