(3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C12H15N3O4 — CID 124804647

IUPAC(3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ccno2)[C@H]2CCO[C@@H]12
InChIInChI=1S/C12H15N3O4/c1-13-11(16)7-6-15(8-3-5-18-10(7)8)12(17)9-2-4-14-19-9/h2,4,7-8,10H,3,5-6H2,1H3,(H,13,16)/t7-,8+,10+/m1/s1
InChIKeyWIJHQPPNRDDNKB-WEDXCCLWSA-N
MW265.27 g/mol
LogP-0.35
Rot. Bonds2

About (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 124804647) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID124804647
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name(3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ccno2)[C@H]2CCO[C@@H]12
InChIInChI=1S/C12H15N3O4/c1-13-11(16)7-6-15(8-3-5-18-10(7)8)12(17)9-2-4-14-19-9/h2,4,7-8,10H,3,5-6H2,1H3,(H,13,16)/t7-,8+,10+/m1/s1
InChIKeyWIJHQPPNRDDNKB-WEDXCCLWSA-N
XLogP-0.35
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 124804647) is (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2ccno2)[C@H]2CCO[C@@H]12.
What is the InChIKey of (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is WIJHQPPNRDDNKB-WEDXCCLWSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-13-11(16)7-6-15(8-3-5-18-10(7)8)12(17)9-2-4-14-19-9/h2,4,7-8,10H,3,5-6H2,1H3,(H,13,16)/t7-,8+,10+/m1/s1.
What are the key properties of (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aS)-N-methyl-4-(1,2-oxazole-5-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 124804647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).