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

C9H10N4O3 — CID 103971807

IUPAC2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1cc(-c2nc(C3CNCCO3)no2)no1
InChIInChI=1S/C9H10N4O3/c1-3-15-12-6(1)9-11-8(13-16-9)7-5-10-2-4-14-7/h1,3,7,10H,2,4-5H2
InChIKeyZFFWIMDZCQRCCS-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.39
Rot. Bonds2

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

2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971807) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971807
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1cc(-c2nc(C3CNCCO3)no2)no1
InChIInChI=1S/C9H10N4O3/c1-3-15-12-6(1)9-11-8(13-16-9)7-5-10-2-4-14-7/h1,3,7,10H,2,4-5H2
InChIKeyZFFWIMDZCQRCCS-UHFFFAOYSA-N
XLogP0.39
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 104630877
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971796
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971977
2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104637578
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971809
2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971821
2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972045
2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971863
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971869
2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972048
2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971978
2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 86276549

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971807) is 2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine is c1cc(-c2nc(C3CNCCO3)no2)no1.
What is the InChIKey of 2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is ZFFWIMDZCQRCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-3-15-12-6(1)9-11-8(13-16-9)7-5-10-2-4-14-7/h1,3,7,10H,2,4-5H2.
What are the key properties of 2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 222.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).