formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C17H28N4O6 — CID 171688336

IUPACformic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCC(C)c1nnc(CCC(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)o1.O=CO
InChIInChI=1S/C16H26N4O4.CH2O2/c1-11(2)16-18-17-14(24-16)3-4-15(22)20-9-12(13(21)10-20)19-5-7-23-8-6-19;2-1-3/h11-13,21H,3-10H2,1-2H3;1H,(H,2,3)/t12-,13-;/m1./s1
InChIKeyUDQJWFXHFRBHPS-OJERSXHUSA-N
MW384.43 g/mol
LogP-0.27
Rot. Bonds5

About formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 171688336) has the molecular formula C17H28N4O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Nameformic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID171688336
Molecular FormulaC17H28N4O6
Molecular Weight384.43 g/mol
Exact Mass384.20
IUPAC Nameformic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCC(C)c1nnc(CCC(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)o1.O=CO
InChIInChI=1S/C16H26N4O4.CH2O2/c1-11(2)16-18-17-14(24-16)3-4-15(22)20-9-12(13(21)10-20)19-5-7-23-8-6-19;2-1-3/h11-13,21H,3-10H2,1-2H3;1H,(H,2,3)/t12-,13-;/m1./s1
InChIKeyUDQJWFXHFRBHPS-OJERSXHUSA-N
XLogP-0.27
TPSA129.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 171688336) is formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is CC(C)c1nnc(CCC(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)o1.O=CO.
What is the InChIKey of formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is UDQJWFXHFRBHPS-OJERSXHUSA-N. The full InChI is InChI=1S/C16H26N4O4.CH2O2/c1-11(2)16-18-17-14(24-16)3-4-15(22)20-9-12(13(21)10-20)19-5-7-23-8-6-19;2-1-3/h11-13,21H,3-10H2,1-2H3;1H,(H,2,3)/t12-,13-;/m1./s1.
What are the key properties of formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 384.43 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 171688336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).