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

C22H23N3O4 — CID 169421751

IUPAC2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCOCc1nc2c(o1)CCN(C(=O)Cn1cc(C(=O)C3CC3)c3ccccc31)C2
InChIInChI=1S/C22H23N3O4/c1-28-13-20-23-17-11-24(9-8-19(17)29-20)21(26)12-25-10-16(22(27)14-6-7-14)15-4-2-3-5-18(15)25/h2-5,10,14H,6-9,11-13H2,1H3
InChIKeyNFMZBHVYNIGOJU-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.95
Rot. Bonds6

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

2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 169421751) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
PubChem CID169421751
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCOCc1nc2c(o1)CCN(C(=O)Cn1cc(C(=O)C3CC3)c3ccccc31)C2
InChIInChI=1S/C22H23N3O4/c1-28-13-20-23-17-11-24(9-8-19(17)29-20)21(26)12-25-10-16(22(27)14-6-7-14)15-4-2-3-5-18(15)25/h2-5,10,14H,6-9,11-13H2,1H3
InChIKeyNFMZBHVYNIGOJU-UHFFFAOYSA-N
XLogP2.95
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(cyclopropanecarbonyl)indol-1-yl]-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

2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
(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-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 169421079
1H-benzimidazol-2-yl-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511011
2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169414516
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-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 963220
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
2-(3,4-dimethoxyphenyl)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169420314
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 135112836
(3aR,7aS)-2-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138384183
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 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) is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone is COCc1nc2c(o1)CCN(C(=O)Cn1cc(C(=O)C3CC3)c3ccccc31)C2.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is NFMZBHVYNIGOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-13-20-23-17-11-24(9-8-19(17)29-20)21(26)12-25-10-16(22(27)14-6-7-14)15-4-2-3-5-18(15)25/h2-5,10,14H,6-9,11-13H2,1H3.
What are the key properties of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone?
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 393.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 169421751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).