1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone

C19H21N3O3 — CID 97437401

IUPAC1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone
SMILESCCc1cccc2c(C(C)=O)cn(Cc3nc([C@@H]4CCOC4)no3)c12
InChIInChI=1S/C19H21N3O3/c1-3-13-5-4-6-15-16(12(2)23)9-22(18(13)15)10-17-20-19(21-25-17)14-7-8-24-11-14/h4-6,9,14H,3,7-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyMZGAVCMTFFSIKC-CQSZACIVSA-N
MW339.40 g/mol
LogP3.34
Rot. Bonds5

About 1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone

1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone (PubChem CID 97437401) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone
PubChem CID97437401
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone
SMILESCCc1cccc2c(C(C)=O)cn(Cc3nc([C@@H]4CCOC4)no3)c12
InChIInChI=1S/C19H21N3O3/c1-3-13-5-4-6-15-16(12(2)23)9-22(18(13)15)10-17-20-19(21-25-17)14-7-8-24-11-14/h4-6,9,14H,3,7-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyMZGAVCMTFFSIKC-CQSZACIVSA-N
XLogP3.34
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one
CID 97454098
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 97434052
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
4-methyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one
CID 97437342
2-(3-acetyl-7-ethylindol-1-yl)acetic acid
CID 6489109
2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide
CID 125158902
2-(3-acetyl-7-ethylindol-1-yl)-N-cyclopentylacetamide
CID 2972257
3-(3-methylphenyl)-5-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
CID 72846499
3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one
CID 97434445
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570784
5-(2,3-dihydro-1H-inden-2-ylmethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456867

Frequently Asked Questions

What is the IUPAC name of 1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone?
The IUPAC name of 1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone (CID 97437401) is 1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone is CCc1cccc2c(C(C)=O)cn(Cc3nc([C@@H]4CCOC4)no3)c12.
What is the InChIKey of 1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone?
The InChIKey is MZGAVCMTFFSIKC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-13-5-4-6-15-16(12(2)23)9-22(18(13)15)10-17-20-19(21-25-17)14-7-8-24-11-14/h4-6,9,14H,3,7-8,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone?
1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone has a molecular weight of 339.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone is sourced from PubChem (CID 97437401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).