[(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone

C14H16N4O4 — CID 97477977

IUPAC[(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone
SMILESCc1nnc(C[C@H]2C[C@H]3CN(C(=O)c4cocn4)C[C@H]3O2)o1
InChIInChI=1S/C14H16N4O4/c1-8-16-17-13(21-8)3-10-2-9-4-18(5-12(9)22-10)14(19)11-6-20-7-15-11/h6-7,9-10,12H,2-5H2,1H3/t9-,10+,12+/m0/s1
InChIKeyQOBAYDSAQMNKEK-HOSYDEDBSA-N
MW304.31 g/mol
LogP0.84
Rot. Bonds3

About [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone

[(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone (PubChem CID 97477977) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone
PubChem CID97477977
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name[(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone
SMILESCc1nnc(C[C@H]2C[C@H]3CN(C(=O)c4cocn4)C[C@H]3O2)o1
InChIInChI=1S/C14H16N4O4/c1-8-16-17-13(21-8)3-10-2-9-4-18(5-12(9)22-10)14(19)11-6-20-7-15-11/h6-7,9-10,12H,2-5H2,1H3/t9-,10+,12+/m0/s1
InChIKeyQOBAYDSAQMNKEK-HOSYDEDBSA-N
XLogP0.84
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone?
The IUPAC name of [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone (CID 97477977) is [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone is Cc1nnc(C[C@H]2C[C@H]3CN(C(=O)c4cocn4)C[C@H]3O2)o1.
What is the InChIKey of [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone?
The InChIKey is QOBAYDSAQMNKEK-HOSYDEDBSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-8-16-17-13(21-8)3-10-2-9-4-18(5-12(9)22-10)14(19)11-6-20-7-15-11/h6-7,9-10,12H,2-5H2,1H3/t9-,10+,12+/m0/s1.
What are the key properties of [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone?
[(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone has a molecular weight of 304.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 97477977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).