N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H20N4O4S — CID 55748698

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20N4O4S/c25-17(4-5-18-22-19(23-28-18)15-6-11-29-13-15)21-16-3-1-2-14(12-16)20(26)24-7-9-27-10-8-24/h1-3,6,11-13H,4-5,7-10H2,(H,21,25)
InChIKeyQOMMGBYRNZHCBJ-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.84
Rot. Bonds6

About N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55748698) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55748698
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20N4O4S/c25-17(4-5-18-22-19(23-28-18)15-6-11-29-13-15)21-16-3-1-2-14(12-16)20(26)24-7-9-27-10-8-24/h1-3,6,11-13H,4-5,7-10H2,(H,21,25)
InChIKeyQOMMGBYRNZHCBJ-UHFFFAOYSA-N
XLogP2.84
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-morpholin-4-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26585016
methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate
CID 55848093
N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9072654
N-(4-pyrrolidin-1-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17485381
N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55783491
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9087195
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9085549
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55457326
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38613806
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26689322

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55748698) is N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is QOMMGBYRNZHCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c25-17(4-5-18-22-19(23-28-18)15-6-11-29-13-15)21-16-3-1-2-14(12-16)20(26)24-7-9-27-10-8-24/h1-3,6,11-13H,4-5,7-10H2,(H,21,25).
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 412.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55748698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).