3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine

C10H12N4O2 — CID 136984490

IUPAC3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESc1c[nH]c(-c2noc(C3COCCN3)n2)c1
InChIInChI=1S/C10H12N4O2/c1-2-7(11-3-1)9-13-10(16-14-9)8-6-15-5-4-12-8/h1-3,8,11-12H,4-6H2
InChIKeyOIMOLZADOWGIJW-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.73
Rot. Bonds2

About 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine

3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 136984490) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID136984490
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESc1c[nH]c(-c2noc(C3COCCN3)n2)c1
InChIInChI=1S/C10H12N4O2/c1-2-7(11-3-1)9-13-10(16-14-9)8-6-15-5-4-12-8/h1-3,8,11-12H,4-6H2
InChIKeyOIMOLZADOWGIJW-UHFFFAOYSA-N
XLogP0.73
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 91663021
5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 141133927
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 114876910
4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 136990360
N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 136984474
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 136770990
3-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 66039920
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 136843995
4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 136984611
3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971723
3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
N-propyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 137001669

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine (CID 136984490) is 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine is c1c[nH]c(-c2noc(C3COCCN3)n2)c1.
What is the InChIKey of 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is OIMOLZADOWGIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-7(11-3-1)9-13-10(16-14-9)8-6-15-5-4-12-8/h1-3,8,11-12H,4-6H2.
What are the key properties of 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine?
3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 220.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 136984490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).