3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one

C14H13N3O4 — CID 97434445

IUPAC3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1nc([C@H]2CCOC2)no1
InChIInChI=1S/C14H13N3O4/c18-14-17(10-3-1-2-4-11(10)20-14)7-12-15-13(16-21-12)9-5-6-19-8-9/h1-4,9H,5-8H2/t9-/m0/s1
InChIKeyCXONUSAXYHTUIM-VIFPVBQESA-N
MW287.27 g/mol
LogP1.53
Rot. Bonds3

About 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one

3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one (PubChem CID 97434445) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one
PubChem CID97434445
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1nc([C@H]2CCOC2)no1
InChIInChI=1S/C14H13N3O4/c18-14-17(10-3-1-2-4-11(10)20-14)7-12-15-13(16-21-12)9-5-6-19-8-9/h1-4,9H,5-8H2/t9-/m0/s1
InChIKeyCXONUSAXYHTUIM-VIFPVBQESA-N
XLogP1.53
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 72856359
4-methyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one
CID 97437342
5-(2,3-dihydro-1H-inden-2-ylmethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456867
1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one
CID 97454098
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 97443276
3-[2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 163338758
3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one
CID 17392838
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one
CID 114218084
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 97434831

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one (CID 97434445) is 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1Cc1nc([C@H]2CCOC2)no1.
What is the InChIKey of 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is CXONUSAXYHTUIM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13N3O4/c18-14-17(10-3-1-2-4-11(10)20-14)7-12-15-13(16-21-12)9-5-6-19-8-9/h1-4,9H,5-8H2/t9-/m0/s1.
What are the key properties of 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one?
3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 287.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 97434445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).