4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C15H18N4O4 — CID 124885400

IUPAC4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc(C(=O)N2CCOC[C@@H]2c2ncon2)cc(=O)[nH]1
InChIInChI=1S/C15H18N4O4/c1-9(2)11-5-10(6-13(20)17-11)15(21)19-3-4-22-7-12(19)14-16-8-23-18-14/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyPJQLYNPOASPZTE-GFCCVEGCSA-N
MW318.33 g/mol
LogP1.10
Rot. Bonds3

About 4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 124885400) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID124885400
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc(C(=O)N2CCOC[C@@H]2c2ncon2)cc(=O)[nH]1
InChIInChI=1S/C15H18N4O4/c1-9(2)11-5-10(6-13(20)17-11)15(21)19-3-4-22-7-12(19)14-16-8-23-18-14/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyPJQLYNPOASPZTE-GFCCVEGCSA-N
XLogP1.10
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124885404
(6-methoxy-3-pyridinyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 127772368
[4-(difluoromethylsulfanyl)phenyl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470522
(5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470517
N-[1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 127772381
[2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 124744411
(2-cyclopropylquinolin-4-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470596
(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470568
2-(cyclopropylmethoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127772425
[1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97331656
2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97252445
3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470555

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 124885400) is 4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1cc(C(=O)N2CCOC[C@@H]2c2ncon2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is PJQLYNPOASPZTE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-9(2)11-5-10(6-13(20)17-11)15(21)19-3-4-22-7-12(19)14-16-8-23-18-14/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of 4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 318.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 124885400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).