N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide

C13H17N3O5 — CID 167946600

IUPACN-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)c1cnc(C)o1
InChIInChI=1S/C13H17N3O5/c1-6(17)15-8-4-19-12-9(5-20-11(8)12)16-13(18)10-3-14-7(2)21-10/h3,8-9,11-12H,4-5H2,1-2H3,(H,15,17)(H,16,18)/t8-,9-,11+,12+/m0/s1
InChIKeyROCNORBQZSXCNE-GAIPPQHRSA-N
MW295.30 g/mol
LogP-0.62
Rot. Bonds3

About N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide

N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 167946600) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID167946600
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)c1cnc(C)o1
InChIInChI=1S/C13H17N3O5/c1-6(17)15-8-4-19-12-9(5-20-11(8)12)16-13(18)10-3-14-7(2)21-10/h3,8-9,11-12H,4-5H2,1-2H3,(H,15,17)(H,16,18)/t8-,9-,11+,12+/m0/s1
InChIKeyROCNORBQZSXCNE-GAIPPQHRSA-N
XLogP-0.62
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide (CID 167946600) is N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide is CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)c1cnc(C)o1.
What is the InChIKey of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is ROCNORBQZSXCNE-GAIPPQHRSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-6(17)15-8-4-19-12-9(5-20-11(8)12)16-13(18)10-3-14-7(2)21-10/h3,8-9,11-12H,4-5H2,1-2H3,(H,15,17)(H,16,18)/t8-,9-,11+,12+/m0/s1.
What are the key properties of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide?
N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 295.30 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 167946600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).