(3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

C15H20N4O3 — CID 124801348

IUPAC(3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCc1cc(CN2CC[C@@H]3O[C@H](c4nnc(C)o4)CC[C@@H]32)no1
InChIInChI=1S/C15H20N4O3/c1-9-7-11(18-22-9)8-19-6-5-13-12(19)3-4-14(21-13)15-17-16-10(2)20-15/h7,12-14H,3-6,8H2,1-2H3/t12-,13-,14-/m0/s1
InChIKeyXQDKQRABMQRVDX-IHRRRGAJSA-N
MW304.35 g/mol
LogP2.17
Rot. Bonds3

About (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

(3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (PubChem CID 124801348) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
PubChem CID124801348
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCc1cc(CN2CC[C@@H]3O[C@H](c4nnc(C)o4)CC[C@@H]32)no1
InChIInChI=1S/C15H20N4O3/c1-9-7-11(18-22-9)8-19-6-5-13-12(19)3-4-14(21-13)15-17-16-10(2)20-15/h7,12-14H,3-6,8H2,1-2H3/t12-,13-,14-/m0/s1
InChIKeyXQDKQRABMQRVDX-IHRRRGAJSA-N
XLogP2.17
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole with MolForge

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Related Compounds

(3aR,5R,7aR)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 98811101
(3aR,5S,7aR)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97380093
2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 79407402
(4aR,7R,7aR)-7-ethoxy-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 125194556
2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79371547
2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549497
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 114426836
(2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine
CID 100569695
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 95273531
5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000090
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CID 62917538

Frequently Asked Questions

What is the IUPAC name of (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The IUPAC name of (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (CID 124801348) is (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.
What is the SMILES notation for (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The canonical SMILES for (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is Cc1cc(CN2CC[C@@H]3O[C@H](c4nnc(C)o4)CC[C@@H]32)no1.
What is the InChIKey of (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The InChIKey is XQDKQRABMQRVDX-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9-7-11(18-22-9)8-19-6-5-13-12(19)3-4-14(21-13)15-17-16-10(2)20-15/h7,12-14H,3-6,8H2,1-2H3/t12-,13-,14-/m0/s1.
What are the key properties of (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
(3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole has a molecular weight of 304.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is sourced from PubChem (CID 124801348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).