2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate

C15H16N2O3 — CID 139425078

IUPAC2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate
SMILESCC(=O)OCCc1nc(-c2ccc3c(c2)CCC3)no1
InChIInChI=1S/C15H16N2O3/c1-10(18)19-8-7-14-16-15(17-20-14)13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyVOKFWHAMRDAYFF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.33
Rot. Bonds4

About 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate

2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate (PubChem CID 139425078) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate
PubChem CID139425078
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate
SMILESCC(=O)OCCc1nc(-c2ccc3c(c2)CCC3)no1
InChIInChI=1S/C15H16N2O3/c1-10(18)19-8-7-14-16-15(17-20-14)13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyVOKFWHAMRDAYFF-UHFFFAOYSA-N
XLogP2.33
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24622387
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7580840
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9087195
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706500
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
CID 129267909
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706328
4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one;ethane
CID 144545200
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 24611543
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706341
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 46511554
4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butyl acetate
CID 58389492

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate (CID 139425078) is 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate is CC(=O)OCCc1nc(-c2ccc3c(c2)CCC3)no1.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate?
The InChIKey is VOKFWHAMRDAYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(18)19-8-7-14-16-15(17-20-14)13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate?
2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate has a molecular weight of 272.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate is sourced from PubChem (CID 139425078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).