1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

C17H18N4O3 — CID 91920631

IUPAC1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCOCc1nc(C2CCN(C(=O)c3cccc4[nH]ccc34)C2)no1
InChIInChI=1S/C17H18N4O3/c1-23-10-15-19-16(20-24-15)11-6-8-21(9-11)17(22)13-3-2-4-14-12(13)5-7-18-14/h2-5,7,11,18H,6,8-10H2,1H3
InChIKeyNFOFUMZBVGZGFP-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.33
Rot. Bonds4

About 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 91920631) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID91920631
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCOCc1nc(C2CCN(C(=O)c3cccc4[nH]ccc34)C2)no1
InChIInChI=1S/C17H18N4O3/c1-23-10-15-19-16(20-24-15)11-6-8-21(9-11)17(22)13-3-2-4-14-12(13)5-7-18-14/h2-5,7,11,18H,6,8-10H2,1H3
InChIKeyNFOFUMZBVGZGFP-UHFFFAOYSA-N
XLogP2.33
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 124892725
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110197197
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918423
(2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918435
(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
(3,5-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918447
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 91907841
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 103975888

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (CID 91920631) is 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is COCc1nc(C2CCN(C(=O)c3cccc4[nH]ccc34)C2)no1.
What is the InChIKey of 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is NFOFUMZBVGZGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-10-15-19-16(20-24-15)11-6-8-21(9-11)17(22)13-3-2-4-14-12(13)5-7-18-14/h2-5,7,11,18H,6,8-10H2,1H3.
What are the key properties of 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91920631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).