N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide

C18H19N5O4S — CID 30778709

IUPACN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)oc1=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H19N5O4S/c24-16(12-23-18(25)27-17(21-23)14-2-1-9-28-14)20-11-13-3-4-15(19-10-13)22-5-7-26-8-6-22/h1-4,9-10H,5-8,11-12H2,(H,20,24)
InChIKeyCWNLXQGXCLQGJA-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.11
Rot. Bonds6

About N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 30778709) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID30778709
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)oc1=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H19N5O4S/c24-16(12-23-18(25)27-17(21-23)14-2-1-9-28-14)20-11-13-3-4-15(19-10-13)22-5-7-26-8-6-22/h1-4,9-10H,5-8,11-12H2,(H,20,24)
InChIKeyCWNLXQGXCLQGJA-UHFFFAOYSA-N
XLogP1.11
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550291
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 30778648
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 60556897
N-(benzylcarbamoyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550672
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 29320346
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42474431
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 18139618
N-benzyl-1-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]piperidine-4-carboxamide
CID 30777028
N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42932311

Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (CID 30778709) is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is O=C(Cn1nc(-c2cccs2)oc1=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is CWNLXQGXCLQGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c24-16(12-23-18(25)27-17(21-23)14-2-1-9-28-14)20-11-13-3-4-15(19-10-13)22-5-7-26-8-6-22/h1-4,9-10H,5-8,11-12H2,(H,20,24).
What are the key properties of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 401.45 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 30778709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).