(8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

C14H15N5O5 — CID 125439541

IUPAC(8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(NCc1noc(-c2ccco2)n1)N1CCN2C(=O)OC[C@H]2C1
InChIInChI=1S/C14H15N5O5/c20-13(18-3-4-19-9(7-18)8-23-14(19)21)15-6-11-16-12(24-17-11)10-2-1-5-22-10/h1-2,5,9H,3-4,6-8H2,(H,15,20)/t9-/m1/s1
InChIKeyQKJDSXRDAQWWQG-SECBINFHSA-N
MW333.30 g/mol
LogP0.68
Rot. Bonds3

About (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

(8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (PubChem CID 125439541) has the molecular formula C14H15N5O5 and a molecular weight of 333.30 g/mol. Its IUPAC name is (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
PubChem CID125439541
Molecular FormulaC14H15N5O5
Molecular Weight333.30 g/mol
Exact Mass333.11
IUPAC Name(8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(NCc1noc(-c2ccco2)n1)N1CCN2C(=O)OC[C@H]2C1
InChIInChI=1S/C14H15N5O5/c20-13(18-3-4-19-9(7-18)8-23-14(19)21)15-6-11-16-12(24-17-11)10-2-1-5-22-10/h1-2,5,9H,3-4,6-8H2,(H,15,20)/t9-/m1/s1
InChIKeyQKJDSXRDAQWWQG-SECBINFHSA-N
XLogP0.68
TPSA113.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

(8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 126438993
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
CID 47468635
(3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50975999
(8aR)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 126438262
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 51097706
(1S)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95019751
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyacetamide
CID 50755906
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 51127697
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 50755663
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 50755881
3-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 122563608
(1S)-1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 97156209

Frequently Asked Questions

What is the IUPAC name of (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The IUPAC name of (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (CID 125439541) is (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is O=C(NCc1noc(-c2ccco2)n1)N1CCN2C(=O)OC[C@H]2C1.
What is the InChIKey of (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The InChIKey is QKJDSXRDAQWWQG-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N5O5/c20-13(18-3-4-19-9(7-18)8-23-14(19)21)15-6-11-16-12(24-17-11)10-2-1-5-22-10/h1-2,5,9H,3-4,6-8H2,(H,15,20)/t9-/m1/s1.
What are the key properties of (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
(8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is sourced from PubChem (CID 125439541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).