2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone

C18H20N4O4 — CID 169414516

IUPAC2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCOCc1nc2c(o1)CCN(C(=O)COCc1nc3ccccc3[nH]1)C2
InChIInChI=1S/C18H20N4O4/c1-24-10-17-21-14-8-22(7-6-15(14)26-17)18(23)11-25-9-16-19-12-4-2-3-5-13(12)20-16/h2-5H,6-11H2,1H3,(H,19,20)
InChIKeyUCKKTZKJTCBNKH-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.80
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone

2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 169414516) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
PubChem CID169414516
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCOCc1nc2c(o1)CCN(C(=O)COCc1nc3ccccc3[nH]1)C2
InChIInChI=1S/C18H20N4O4/c1-24-10-17-21-14-8-22(7-6-15(14)26-17)18(23)11-25-9-16-19-12-4-2-3-5-13(12)20-16/h2-5H,6-11H2,1H3,(H,19,20)
InChIKeyUCKKTZKJTCBNKH-UHFFFAOYSA-N
XLogP1.80
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1H-benzimidazol-2-yl-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511011
(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
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
[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 169421079
2-(3,4-dimethoxyphenyl)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169420314
2-(1H-benzimidazol-2-ylmethoxy)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164695031
2-[5-[(1S)-1-aminoethyl]-3-phenyl-1,2,4-triazol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170504873
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169421751
2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72884913
8-[2-(1H-benzimidazol-2-ylmethoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421028
[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone
CID 170504634
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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone (CID 169414516) is 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone is COCc1nc2c(o1)CCN(C(=O)COCc1nc3ccccc3[nH]1)C2.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is UCKKTZKJTCBNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-24-10-17-21-14-8-22(7-6-15(14)26-17)18(23)11-25-9-16-19-12-4-2-3-5-13(12)20-16/h2-5H,6-11H2,1H3,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 356.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 169414516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).