(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C11H11ClN4O3 — CID 97352196

IUPAC(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCO[C@@H](c2ncon2)C1
InChIInChI=1S/C11H11ClN4O3/c12-7-3-8(13-4-7)11(17)16-1-2-18-9(5-16)10-14-6-19-15-10/h3-4,6,9,13H,1-2,5H2/t9-/m1/s1
InChIKeyKNGARRVPLUNQTK-SECBINFHSA-N
MW282.69 g/mol
LogP1.26
Rot. Bonds2

About (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 97352196) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID97352196
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCO[C@@H](c2ncon2)C1
InChIInChI=1S/C11H11ClN4O3/c12-7-3-8(13-4-7)11(17)16-1-2-18-9(5-16)10-14-6-19-15-10/h3-4,6,9,13H,1-2,5H2/t9-/m1/s1
InChIKeyKNGARRVPLUNQTK-SECBINFHSA-N
XLogP1.26
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 97352196) is (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is O=C(c1cc(Cl)c[nH]1)N1CCO[C@@H](c2ncon2)C1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is KNGARRVPLUNQTK-SECBINFHSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c12-7-3-8(13-4-7)11(17)16-1-2-18-9(5-16)10-14-6-19-15-10/h3-4,6,9,13H,1-2,5H2/t9-/m1/s1.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 282.69 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 97352196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).