[3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

C12H18N4O4 — CID 102742571

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESO=C(c1noc(C2CCCN2)n1)N1CCOCC1CO
InChIInChI=1S/C12H18N4O4/c17-6-8-7-19-5-4-16(8)12(18)10-14-11(20-15-10)9-2-1-3-13-9/h8-9,13,17H,1-7H2
InChIKeySORVSWMKUIAWGX-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.67
Rot. Bonds3

About [3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

[3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 102742571) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID102742571
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESO=C(c1noc(C2CCCN2)n1)N1CCOCC1CO
InChIInChI=1S/C12H18N4O4/c17-6-8-7-19-5-4-16(8)12(18)10-14-11(20-15-10)9-2-1-3-13-9/h8-9,13,17H,1-7H2
InChIKeySORVSWMKUIAWGX-UHFFFAOYSA-N
XLogP-0.67
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (CID 102742571) is [3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is O=C(c1noc(C2CCCN2)n1)N1CCOCC1CO.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is SORVSWMKUIAWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c17-6-8-7-19-5-4-16(8)12(18)10-14-11(20-15-10)9-2-1-3-13-9/h8-9,13,17H,1-7H2.
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
[3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 282.30 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 102742571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).