(2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide

C31H36N2O5 — CID 11375768

IUPAC(2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)N2O1
InChIInChI=1S/C31H36N2O5/c1-32(2)31(34)28-18-26-29(36-20-24-14-8-4-9-15-24)30(37-21-25-16-10-5-11-17-25)27(33(26)38-28)22-35-19-23-12-6-3-7-13-23/h3-17,26-30H,18-22H2,1-2H3/t26-,27-,28-,29-,30-/m1/s1
InChIKeyMWORMEVDXVMXOG-XZTOTZIXSA-N
MW516.64 g/mol
LogP4.22
Rot. Bonds11

About (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide

(2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide (PubChem CID 11375768) has the molecular formula C31H36N2O5 and a molecular weight of 516.64 g/mol. Its IUPAC name is (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide
PubChem CID11375768
Molecular FormulaC31H36N2O5
Molecular Weight516.64 g/mol
Exact Mass516.26
IUPAC Name(2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)N2O1
InChIInChI=1S/C31H36N2O5/c1-32(2)31(34)28-18-26-29(36-20-24-14-8-4-9-15-24)30(37-21-25-16-10-5-11-17-25)27(33(26)38-28)22-35-19-23-12-6-3-7-13-23/h3-17,26-30H,18-22H2,1-2H3/t26-,27-,28-,29-,30-/m1/s1
InChIKeyMWORMEVDXVMXOG-XZTOTZIXSA-N
XLogP4.22
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(1S,5R,6R,7R,8S)-1-[dimethyl(phenyl)silyl]-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 57325792
(1R,2R,3R,4S,5S,8R)-5-methyl-4-oxido-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium
CID 135013335
(1S,2R,3S,4R,5R,8S)-5-methyl-4-oxido-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium
CID 135013378
(1S,2S,3S,4R,5R,8S)-5-methyl-4-oxido-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium
CID 135013550
Methyl 4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 135018378
methyl (2S,3aS,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 135018493
methyl (2R,3aS,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 135018494
ethyl (2S,3S,3aS,4R,5R,6R)-3-[dimethyl(phenyl)silyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 25223735
(1S,2S,5R,6R,7R,8S)-1-[dimethyl(phenyl)silyl]-2-hydroxy-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 25223736
[(1S,2S,5R,6R,7R,8S)-3-oxo-1,6,7-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-2-yl] benzoate
CID 44603675
(2R,5R,6R,7R,8R)-2-hydroxy-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 49843754
methyl (1S,2R,5R,6R,7R,8R)-2-hydroxy-3-oxo-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 49843861

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide?
The IUPAC name of (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide (CID 11375768) is (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide.
What is the SMILES notation for (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide?
The canonical SMILES for (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide is CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)N2O1.
What is the InChIKey of (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide?
The InChIKey is MWORMEVDXVMXOG-XZTOTZIXSA-N. The full InChI is InChI=1S/C31H36N2O5/c1-32(2)31(34)28-18-26-29(36-20-24-14-8-4-9-15-24)30(37-21-25-16-10-5-11-17-25)27(33(26)38-28)22-35-19-23-12-6-3-7-13-23/h3-17,26-30H,18-22H2,1-2H3/t26-,27-,28-,29-,30-/m1/s1.
What are the key properties of (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide?
(2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide has a molecular weight of 516.64 g/mol, XLogP of 4.22, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,4R,5R,6R)-N,N-dimethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxamide is sourced from PubChem (CID 11375768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).