4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

C11H12BrN5O2 — CID 127299170

IUPAC4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc(C2CN(c3ncc(Br)cn3)CCO2)no1
InChIInChI=1S/C11H12BrN5O2/c1-7-15-10(16-19-7)9-6-17(2-3-18-9)11-13-4-8(12)5-14-11/h4-5,9H,2-3,6H2,1H3
InChIKeyCXMLKNPUIDUVIK-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.51
Rot. Bonds2

About 4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 127299170) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID127299170
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc(C2CN(c3ncc(Br)cn3)CCO2)no1
InChIInChI=1S/C11H12BrN5O2/c1-7-15-10(16-19-7)9-6-17(2-3-18-9)11-13-4-8(12)5-14-11/h4-5,9H,2-3,6H2,1H3
InChIKeyCXMLKNPUIDUVIK-UHFFFAOYSA-N
XLogP1.51
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
CID 75466960
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 124744190
(2R)-4-(cyclopentylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316183
[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 127781397
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine
CID 97316172
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 97316076
4-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75480253
3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide
CID 154752292
2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
CID 133404065
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine
CID 138052975
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine
CID 97320099

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of 4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (CID 127299170) is 4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for 4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is Cc1nc(C2CN(c3ncc(Br)cn3)CCO2)no1.
What is the InChIKey of 4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is CXMLKNPUIDUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c1-7-15-10(16-19-7)9-6-17(2-3-18-9)11-13-4-8(12)5-14-11/h4-5,9H,2-3,6H2,1H3.
What are the key properties of 4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 326.15 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 127299170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).