[(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C15H18N4O4 — CID 97387625

IUPAC[(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc([C@H]2COC[C@H]3CN(C(=O)c4cnoc4C)C[C@H]32)n1
InChIInChI=1S/C15H18N4O4/c1-8-11(3-16-22-8)15(20)19-4-10-6-21-7-13(12(10)5-19)14-17-9(2)18-23-14/h3,10,12-13H,4-7H2,1-2H3/t10-,12-,13+/m1/s1
InChIKeyRFUVYYHCPBEPCG-RTXFEEFZSA-N
MW318.33 g/mol
LogP1.18
Rot. Bonds2

About [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 97387625) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID97387625
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name[(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc([C@H]2COC[C@H]3CN(C(=O)c4cnoc4C)C[C@H]32)n1
InChIInChI=1S/C15H18N4O4/c1-8-11(3-16-22-8)15(20)19-4-10-6-21-7-13(12(10)5-19)14-17-9(2)18-23-14/h3,10,12-13H,4-7H2,1-2H3/t10-,12-,13+/m1/s1
InChIKeyRFUVYYHCPBEPCG-RTXFEEFZSA-N
XLogP1.18
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

[(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methylthiophen-2-yl)methanone
CID 124808316
1-[(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-(4-fluorophenyl)ethanone
CID 97364641
(E)-1-[(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 125220951
(3-aminoazetidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 65244931
(3aR,7aS)-2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99989834
[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 129417393
N-[(4aS,8R,8aS)-6-(5-methyl-1,2-oxazole-4-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide
CID 97411344
(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 79868336
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
(5-methyl-1,2-oxazol-4-yl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251033
(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 68934769
3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274964

Frequently Asked Questions

What is the IUPAC name of [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 97387625) is [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1noc([C@H]2COC[C@H]3CN(C(=O)c4cnoc4C)C[C@H]32)n1.
What is the InChIKey of [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is RFUVYYHCPBEPCG-RTXFEEFZSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-8-11(3-16-22-8)15(20)19-4-10-6-21-7-13(12(10)5-19)14-17-9(2)18-23-14/h3,10,12-13H,4-7H2,1-2H3/t10-,12-,13+/m1/s1.
What are the key properties of [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 318.33 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 97387625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).