(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

C15H19N3O2S — CID 98811101

IUPAC(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
SMILESCc1nnc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccs3)O2)o1
InChIInChI=1S/C15H19N3O2S/c1-10-16-17-15(19-10)14-5-4-12-13(20-14)6-7-18(12)9-11-3-2-8-21-11/h2-3,8,12-14H,4-7,9H2,1H3/t12-,13-,14-/m1/s1
InChIKeyCPIUKNXAKDBHHH-MGPQQGTHSA-N
MW305.40 g/mol
LogP2.93
Rot. Bonds3

About (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

(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 (PubChem CID 98811101) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID98811101
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(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
SMILESCc1nnc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccs3)O2)o1
InChIInChI=1S/C15H19N3O2S/c1-10-16-17-15(19-10)14-5-4-12-13(20-14)6-7-18(12)9-11-3-2-8-21-11/h2-3,8,12-14H,4-7,9H2,1H3/t12-,13-,14-/m1/s1
InChIKeyCPIUKNXAKDBHHH-MGPQQGTHSA-N
XLogP2.93
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
(3aR,5S,7aR)-5-(methoxymethyl)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124790695
[(3aR,5S,7aR)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 97380050
[(3aS,5S,7aS)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 124786607
(3aS,5R,7aS)-5-(pyridin-3-ylmethoxymethyl)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460628
(3aR,7aR)-5-(pyridin-3-ylmethoxymethyl)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133139446
(3aR,5R,7aR)-N-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155841576
(3aS,6aR)-4-pyrimidin-2-yl-1-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98821197
2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine
CID 84593778
(2S,3aR,6aR)-N-(pyrimidin-2-ylmethyl)-4-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 124781535
(2S,3aR,6aR)-N-[2-(dimethylamino)ethyl]-4-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 124804615

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nnc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccs3)O2)o1.
What is the InChIKey of (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?
The InChIKey is CPIUKNXAKDBHHH-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-16-17-15(19-10)14-5-4-12-13(20-14)6-7-18(12)9-11-3-2-8-21-11/h2-3,8,12-14H,4-7,9H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 305.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 98811101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).