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

C17H17N5O2 — CID 75466960

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
SMILESCc1nc(C2CN(c3ccnc(-c4ccccc4)n3)CCO2)no1
InChIInChI=1S/C17H17N5O2/c1-12-19-17(21-24-12)14-11-22(9-10-23-14)15-7-8-18-16(20-15)13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3
InChIKeyDTXKRBBAYAGLSU-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.41
Rot. Bonds3

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

2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine (PubChem CID 75466960) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
PubChem CID75466960
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
SMILESCc1nc(C2CN(c3ccnc(-c4ccccc4)n3)CCO2)no1
InChIInChI=1S/C17H17N5O2/c1-12-19-17(21-24-12)14-11-22(9-10-23-14)15-7-8-18-16(20-15)13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3
InChIKeyDTXKRBBAYAGLSU-UHFFFAOYSA-N
XLogP2.41
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97344130
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 124744190
4-(5-bromopyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 127299170
[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 127781397
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine
CID 138052975
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine
CID 97316172
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[3-(2-methylphenyl)propyl]morpholine
CID 97320099
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
(4-tert-butylphenyl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344999
2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine
CID 132775431
3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide
CID 154752292
(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyridin-2-ylmethyl)morpholine
CID 97344246

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine (CID 75466960) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine is Cc1nc(C2CN(c3ccnc(-c4ccccc4)n3)CCO2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine?
The InChIKey is DTXKRBBAYAGLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-19-17(21-24-12)14-11-22(9-10-23-14)15-7-8-18-16(20-15)13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine has a molecular weight of 323.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 75466960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).