N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide

C18H21N3O5 — CID 166355013

IUPACN-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
SMILESCC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cccc3c1oc(=O)n3C)C2
InChIInChI=1S/C18H21N3O5/c1-11(22)19-18-6-7-25-9-12(18)8-21(10-18)16(23)13-4-3-5-14-15(13)26-17(24)20(14)2/h3-5,12H,6-10H2,1-2H3,(H,19,22)/t12-,18+/m0/s1
InChIKeyNKOIMCIFLCSVEG-KPZWWZAWSA-N
MW359.38 g/mol
LogP0.50
Rot. Bonds2

About N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide

N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide (PubChem CID 166355013) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide.

Molecular Properties

Compound NameN-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
PubChem CID166355013
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
SMILESCC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cccc3c1oc(=O)n3C)C2
InChIInChI=1S/C18H21N3O5/c1-11(22)19-18-6-7-25-9-12(18)8-21(10-18)16(23)13-4-3-5-14-15(13)26-17(24)20(14)2/h3-5,12H,6-10H2,1-2H3,(H,19,22)/t12-,18+/m0/s1
InChIKeyNKOIMCIFLCSVEG-KPZWWZAWSA-N
XLogP0.50
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
The IUPAC name of N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide (CID 166355013) is N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide.
What is the SMILES notation for N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
The canonical SMILES for N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide is CC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cccc3c1oc(=O)n3C)C2.
What is the InChIKey of N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
The InChIKey is NKOIMCIFLCSVEG-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-11(22)19-18-6-7-25-9-12(18)8-21(10-18)16(23)13-4-3-5-14-15(13)26-17(24)20(14)2/h3-5,12H,6-10H2,1-2H3,(H,19,22)/t12-,18+/m0/s1.
What are the key properties of N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide has a molecular weight of 359.38 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide is sourced from PubChem (CID 166355013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).