2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one

C14H20N4O3 — CID 30852855

IUPAC2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESCCC1=NO[C@H](Cn2ncc(N3CCOCC3)cc2=O)C1
InChIInChI=1S/C14H20N4O3/c1-2-11-7-13(21-16-11)10-18-14(19)8-12(9-15-18)17-3-5-20-6-4-17/h8-9,13H,2-7,10H2,1H3/t13-/m0/s1
InChIKeyHMONUIKWKHRPNM-ZDUSSCGKSA-N
MW292.34 g/mol
LogP0.63
Rot. Bonds4

About 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one

2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 30852855) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID30852855
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESCCC1=NO[C@H](Cn2ncc(N3CCOCC3)cc2=O)C1
InChIInChI=1S/C14H20N4O3/c1-2-11-7-13(21-16-11)10-18-14(19)8-12(9-15-18)17-3-5-20-6-4-17/h8-9,13H,2-7,10H2,1H3/t13-/m0/s1
InChIKeyHMONUIKWKHRPNM-ZDUSSCGKSA-N
XLogP0.63
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one (CID 30852855) is 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one is CCC1=NO[C@H](Cn2ncc(N3CCOCC3)cc2=O)C1.
What is the InChIKey of 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is HMONUIKWKHRPNM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-11-7-13(21-16-11)10-18-14(19)8-12(9-15-18)17-3-5-20-6-4-17/h8-9,13H,2-7,10H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 292.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 30852855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).