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

C14H14N2O2 — CID 65406056

IUPAC1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C14H14N2O2/c1-9(17)6-13-15-14(16-18-13)12-7-10-4-2-3-5-11(10)8-12/h2-5,12H,6-8H2,1H3
InChIKeyJHGBLOBNZMNIFW-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.08
Rot. Bonds3

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

1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 65406056) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID65406056
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C14H14N2O2/c1-9(17)6-13-15-14(16-18-13)12-7-10-4-2-3-5-11(10)8-12/h2-5,12H,6-8H2,1H3
InChIKeyJHGBLOBNZMNIFW-UHFFFAOYSA-N
XLogP2.08
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one with MolForge

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Related Compounds

1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-one
CID 65406249
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 65409407
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanoic acid
CID 65406523
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65404119
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107924436
2-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570800
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 65404515
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157766
5-(1-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazole
CID 65415290
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 65334732
3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 65405668
3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65405863

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 65406056) is 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one is CC(=O)Cc1nc(C2Cc3ccccc3C2)no1.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is JHGBLOBNZMNIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(17)6-13-15-14(16-18-13)12-7-10-4-2-3-5-11(10)8-12/h2-5,12H,6-8H2,1H3.
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 242.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 65406056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).