1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone

C19H21N5O2 — CID 146751859

IUPAC1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone
SMILESCC(C)c1nc(-c2ccc3c(c2)CC[C@H]3CC(=O)c2ncn(C)n2)no1
InChIInChI=1S/C19H21N5O2/c1-11(2)19-21-17(23-26-19)14-6-7-15-12(8-14)4-5-13(15)9-16(25)18-20-10-24(3)22-18/h6-8,10-11,13H,4-5,9H2,1-3H3/t13-/m0/s1
InChIKeyRNLNQUDZEQYENS-ZDUSSCGKSA-N
MW351.41 g/mol
LogP3.29
Rot. Bonds5

About 1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone

1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone (PubChem CID 146751859) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone
PubChem CID146751859
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone
SMILESCC(C)c1nc(-c2ccc3c(c2)CC[C@H]3CC(=O)c2ncn(C)n2)no1
InChIInChI=1S/C19H21N5O2/c1-11(2)19-21-17(23-26-19)14-6-7-15-12(8-14)4-5-13(15)9-16(25)18-20-10-24(3)22-18/h6-8,10-11,13H,4-5,9H2,1-3H3/t13-/m0/s1
InChIKeyRNLNQUDZEQYENS-ZDUSSCGKSA-N
XLogP3.29
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1,1-difluoro-3-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propan-2-one
CID 161224329
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone
CID 147796551
2-[(1S)-5-[5-[(1R)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 158728401
1-[(1S)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylbutan-2-one
CID 161460152
1-[(1S)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pentan-2-one
CID 160778320
2-[(1S)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-[4-(hydroxymethyl)-2-pyridinyl]ethanone
CID 139425007
azetidin-3-yl 2-[(1S)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetate
CID 153074006
2-[(1S)-5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methylpyrazol-3-yl)ethanone
CID 152923467
1-(2-hydroxyethyl)-N-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412938
tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139331126
4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-methylpyridin-2-one
CID 155296604
N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412730

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone?
The IUPAC name of 1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone (CID 146751859) is 1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone.
What is the SMILES notation for 1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone?
The canonical SMILES for 1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone is CC(C)c1nc(-c2ccc3c(c2)CC[C@H]3CC(=O)c2ncn(C)n2)no1.
What is the InChIKey of 1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone?
The InChIKey is RNLNQUDZEQYENS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11(2)19-21-17(23-26-19)14-6-7-15-12(8-14)4-5-13(15)9-16(25)18-20-10-24(3)22-18/h6-8,10-11,13H,4-5,9H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone?
1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone has a molecular weight of 351.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone is sourced from PubChem (CID 146751859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).