2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide

C22H34N4O5 — CID 155979507

IUPAC2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide
SMILESCc1cc(CN2C[C@@H](CC(=O)NC(C)C)[C@H]3[C@H](CC(=O)N4CCOCC4)OC[C@H]32)no1
InChIInChI=1S/C22H34N4O5/c1-14(2)23-20(27)9-16-11-26(12-17-8-15(3)31-24-17)18-13-30-19(22(16)18)10-21(28)25-4-6-29-7-5-25/h8,14,16,18-19,22H,4-7,9-13H2,1-3H3,(H,23,27)/t16-,18-,19+,22-/m1/s1
InChIKeyWDMLYOORRNOQJU-NSAZKJPHSA-N
MW434.54 g/mol
LogP0.96
Rot. Bonds7

About 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide

2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide (PubChem CID 155979507) has the molecular formula C22H34N4O5 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide
PubChem CID155979507
Molecular FormulaC22H34N4O5
Molecular Weight434.54 g/mol
Exact Mass434.25
IUPAC Name2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide
SMILESCc1cc(CN2C[C@@H](CC(=O)NC(C)C)[C@H]3[C@H](CC(=O)N4CCOCC4)OC[C@H]32)no1
InChIInChI=1S/C22H34N4O5/c1-14(2)23-20(27)9-16-11-26(12-17-8-15(3)31-24-17)18-13-30-19(22(16)18)10-21(28)25-4-6-29-7-5-25/h8,14,16,18-19,22H,4-7,9-13H2,1-3H3,(H,23,27)/t16-,18-,19+,22-/m1/s1
InChIKeyWDMLYOORRNOQJU-NSAZKJPHSA-N
XLogP0.96
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide (CID 155979507) is 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide is Cc1cc(CN2C[C@@H](CC(=O)NC(C)C)[C@H]3[C@H](CC(=O)N4CCOCC4)OC[C@H]32)no1.
What is the InChIKey of 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is WDMLYOORRNOQJU-NSAZKJPHSA-N. The full InChI is InChI=1S/C22H34N4O5/c1-14(2)23-20(27)9-16-11-26(12-17-8-15(3)31-24-17)18-13-30-19(22(16)18)10-21(28)25-4-6-29-7-5-25/h8,14,16,18-19,22H,4-7,9-13H2,1-3H3,(H,23,27)/t16-,18-,19+,22-/m1/s1.
What are the key properties of 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide?
2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 434.54 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,3aR,4S,6aS)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 155979507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).