[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone

C15H21N3O4 — CID 138810204

IUPAC[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(N2CCOCC2)no1)N1C[C@H]2CC(O)C[C@H]2C1
InChIInChI=1S/C15H21N3O4/c19-12-5-10-8-18(9-11(10)6-12)15(20)13-7-14(16-22-13)17-1-3-21-4-2-17/h7,10-12,19H,1-6,8-9H2/t10-,11+,12?
InChIKeyOSTYURSZXAJTDQ-FOSCPWQOSA-N
MW307.35 g/mol
LogP0.35
Rot. Bonds2

About [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone

[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone (PubChem CID 138810204) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
PubChem CID138810204
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(N2CCOCC2)no1)N1C[C@H]2CC(O)C[C@H]2C1
InChIInChI=1S/C15H21N3O4/c19-12-5-10-8-18(9-11(10)6-12)15(20)13-7-14(16-22-13)17-1-3-21-4-2-17/h7,10-12,19H,1-6,8-9H2/t10-,11+,12?
InChIKeyOSTYURSZXAJTDQ-FOSCPWQOSA-N
XLogP0.35
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

2-methyl-8-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 138378613
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
CID 138385868
5-(morpholine-4-carbonyl)-1,2-oxazole-3-carboxylic acid
CID 117218072
3-methyl-7-(3-morpholin-4-yl-1,2-oxazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 138383070
CID 88944448
CID 88944448
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107370093
1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68604049
3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68602065
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 138383795
3-(4-methylpiperidin-1-yl)-1,2-oxazole-5-carboxamide
CID 102287096
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120659268

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone (CID 138810204) is [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone is O=C(c1cc(N2CCOCC2)no1)N1C[C@H]2CC(O)C[C@H]2C1.
What is the InChIKey of [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is OSTYURSZXAJTDQ-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-12-5-10-8-18(9-11(10)6-12)15(20)13-7-14(16-22-13)17-1-3-21-4-2-17/h7,10-12,19H,1-6,8-9H2/t10-,11+,12?.
What are the key properties of [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone?
[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 307.35 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 138810204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).