3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole

C17H20N4O2 — CID 72856359

IUPAC3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1nc2ccccc2n1Cc1nc(C2CCOC2)no1
InChIInChI=1S/C17H20N4O2/c1-11(2)17-18-13-5-3-4-6-14(13)21(17)9-15-19-16(20-23-15)12-7-8-22-10-12/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRTRQPBZUARUDQR-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.09
Rot. Bonds4

About 3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 72856359) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID72856359
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1nc2ccccc2n1Cc1nc(C2CCOC2)no1
InChIInChI=1S/C17H20N4O2/c1-11(2)17-18-13-5-3-4-6-14(13)21(17)9-15-19-16(20-23-15)12-7-8-22-10-12/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRTRQPBZUARUDQR-UHFFFAOYSA-N
XLogP3.09
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 112728287
3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one
CID 97434445
2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol
CID 163309210
5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 129392990
2-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65330336
1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one
CID 97454098
4-methyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one
CID 97437342
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
3-[(3S)-oxolan-3-yl]-5-[3-(4-propan-2-ylphenyl)propyl]-1,2,4-oxadiazole
CID 97436367
3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 75423002
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
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 3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 72856359) is 3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole is CC(C)c1nc2ccccc2n1Cc1nc(C2CCOC2)no1.
What is the InChIKey of 3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is RTRQPBZUARUDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(2)17-18-13-5-3-4-6-14(13)21(17)9-15-19-16(20-23-15)12-7-8-22-10-12/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 312.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72856359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).