3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole

C18H20N4O — CID 136581987

IUPAC3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)[C@@H]1C[C@@H](Cc2nc(-c3ncc[nH]3)no2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-11(2)15-9-12(13-5-3-4-6-14(13)15)10-16-21-18(22-23-16)17-19-7-8-20-17/h3-8,11-12,15H,9-10H2,1-2H3,(H,19,20)/t12-,15-/m0/s1
InChIKeyOITRLBXHDPRTNF-WFASDCNBSA-N
MW308.39 g/mol
LogP3.93
Rot. Bonds4

About 3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole

3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 136581987) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID136581987
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)[C@@H]1C[C@@H](Cc2nc(-c3ncc[nH]3)no2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-11(2)15-9-12(13-5-3-4-6-14(13)15)10-16-21-18(22-23-16)17-19-7-8-20-17/h3-8,11-12,15H,9-10H2,1-2H3,(H,19,20)/t12-,15-/m0/s1
InChIKeyOITRLBXHDPRTNF-WFASDCNBSA-N
XLogP3.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[3-[2-(1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117354721
5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 138038712
3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 137076823
3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole
CID 137219999
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 80575366
(1S)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 136820497
N-[[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 137076816
4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 136531175
3-[2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-1,3-thiazol-2-one
CID 136712354
3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 136755756
5-(azetidin-3-ylmethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 64611874
3-(1H-imidazol-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 136746255

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole (CID 136581987) is 3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole is CC(C)[C@@H]1C[C@@H](Cc2nc(-c3ncc[nH]3)no2)c2ccccc21.
What is the InChIKey of 3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is OITRLBXHDPRTNF-WFASDCNBSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11(2)15-9-12(13-5-3-4-6-14(13)15)10-16-21-18(22-23-16)17-19-7-8-20-17/h3-8,11-12,15H,9-10H2,1-2H3,(H,19,20)/t12-,15-/m0/s1.
What are the key properties of 3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole?
3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 308.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-5-[[(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136581987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).