3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one

C15H18N4O4 — CID 170503868

IUPAC3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one
SMILESCOCc1nc2c(o1)CCN(C(=O)CCc1ccc(=O)[nH]n1)C2
InChIInChI=1S/C15H18N4O4/c1-22-9-14-16-11-8-19(7-6-12(11)23-14)15(21)5-3-10-2-4-13(20)18-17-10/h2,4H,3,5-9H2,1H3,(H,18,20)
InChIKeyXQSUPRLRQKPIRA-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.42
Rot. Bonds5

About 3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one

3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one (PubChem CID 170503868) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one
PubChem CID170503868
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one
SMILESCOCc1nc2c(o1)CCN(C(=O)CCc1ccc(=O)[nH]n1)C2
InChIInChI=1S/C15H18N4O4/c1-22-9-14-16-11-8-19(7-6-12(11)23-14)15(21)5-3-10-2-4-13(20)18-17-10/h2,4H,3,5-9H2,1H3,(H,18,20)
InChIKeyXQSUPRLRQKPIRA-UHFFFAOYSA-N
XLogP0.42
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169420314
(E)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-phenylprop-2-en-1-one
CID 169413703
2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169414516
3-methoxy-1-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 169419723
1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 169415750
3-[3-oxo-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-1H-pyridazin-6-one
CID 162626688
3-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridazin-6-one
CID 169411090
1H-benzimidazol-2-yl-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511011
[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 169421079
3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one
CID 170505270
5-[3-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 170509496
[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone
CID 170504634

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one (CID 170503868) is 3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one is COCc1nc2c(o1)CCN(C(=O)CCc1ccc(=O)[nH]n1)C2.
What is the InChIKey of 3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The InChIKey is XQSUPRLRQKPIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-22-9-14-16-11-8-19(7-6-12(11)23-14)15(21)5-3-10-2-4-13(20)18-17-10/h2,4H,3,5-9H2,1H3,(H,18,20).
What are the key properties of 3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one?
3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one has a molecular weight of 318.33 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one is sourced from PubChem (CID 170503868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).