N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide

C22H27N3O5 — CID 172661069

IUPACN-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C(=O)N3C[C@H]4COC[C@@]4(COC)C3)ccc2C)on1
InChIInChI=1S/C22H27N3O5/c1-4-17-8-19(30-24-17)20(26)23-18-7-15(6-5-14(18)2)21(27)25-9-16-10-29-13-22(16,11-25)12-28-3/h5-8,16H,4,9-13H2,1-3H3,(H,23,26)/t16-,22-/m0/s1
InChIKeyVFPVMYVHHYILMJ-AOMKIAJQSA-N
MW413.47 g/mol
LogP2.53
Rot. Bonds6

About N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide

N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide (PubChem CID 172661069) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide
PubChem CID172661069
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C(=O)N3C[C@H]4COC[C@@]4(COC)C3)ccc2C)on1
InChIInChI=1S/C22H27N3O5/c1-4-17-8-19(30-24-17)20(26)23-18-7-15(6-5-14(18)2)21(27)25-9-16-10-29-13-22(16,11-25)12-28-3/h5-8,16H,4,9-13H2,1-3H3,(H,23,26)/t16-,22-/m0/s1
InChIKeyVFPVMYVHHYILMJ-AOMKIAJQSA-N
XLogP2.53
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

[(3aS,6aR)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4-methoxyphenyl)methanone
CID 97420854
N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide
CID 172660423
[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-fluoro-2-pyridinyl)methanone
CID 157018225
[(3aS,6aR)-3a-(ethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-quinolin-6-ylmethanone
CID 97420894
1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 162637297
[(3aS,6aS)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-phenylmethanone
CID 124810349
1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 157018312
[(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124912729
[(3aR,6aR)-3a-(pyridin-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97421189
[(3aR,6aR)-3a-(pyridin-2-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155825719
[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-[3-(2-methylphenyl)phenyl]methanone
CID 162635765
[(3aR,6aR)-3a-(pyridin-2-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
CID 97421226

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide (CID 172661069) is N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)Nc2cc(C(=O)N3C[C@H]4COC[C@@]4(COC)C3)ccc2C)on1.
What is the InChIKey of N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide?
The InChIKey is VFPVMYVHHYILMJ-AOMKIAJQSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-4-17-8-19(30-24-17)20(26)23-18-7-15(6-5-14(18)2)21(27)25-9-16-10-29-13-22(16,11-25)12-28-3/h5-8,16H,4,9-13H2,1-3H3,(H,23,26)/t16-,22-/m0/s1.
What are the key properties of N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide?
N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 172661069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).