6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one

C19H17N3O4 — CID 71842815

IUPAC6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCc1ccc(C=Cc2nc(-c3ccc4c(c3)oc(=O)n4C(C)C)no2)o1
InChIInChI=1S/C19H17N3O4/c1-11(2)22-15-8-5-13(10-16(15)25-19(22)23)18-20-17(26-21-18)9-7-14-6-4-12(3)24-14/h4-11H,1-3H3
InChIKeyRXLRAYHBOQZWJZ-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.30
Rot. Bonds4

About 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one

6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 71842815) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID71842815
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCc1ccc(C=Cc2nc(-c3ccc4c(c3)oc(=O)n4C(C)C)no2)o1
InChIInChI=1S/C19H17N3O4/c1-11(2)22-15-8-5-13(10-16(15)25-19(22)23)18-20-17(26-21-18)9-7-14-6-4-12(3)24-14/h4-11H,1-3H3
InChIKeyRXLRAYHBOQZWJZ-UHFFFAOYSA-N
XLogP4.30
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

2-methyl-5-[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141055
6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 53139359
3-propan-2-yl-6-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazol-2-one
CID 53139360
6-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 53139363
6-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-ethyl-1,3-benzoxazol-2-one
CID 71842821
6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
CID 89210533
1-[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858594
5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117401361
6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 53139211
2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide
CID 50797086
6-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065761
1-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 122697151

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one (CID 71842815) is 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one is Cc1ccc(C=Cc2nc(-c3ccc4c(c3)oc(=O)n4C(C)C)no2)o1.
What is the InChIKey of 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is RXLRAYHBOQZWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11(2)22-15-8-5-13(10-16(15)25-19(22)23)18-20-17(26-21-18)9-7-14-6-4-12(3)24-14/h4-11H,1-3H3.
What are the key properties of 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 351.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 71842815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).