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

C17H17N5O2 — CID 97344130

IUPAC(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
SMILESCc1nc([C@H]2COCCN2c2ccnc(-c3ccccc3)n2)no1
InChIInChI=1S/C17H17N5O2/c1-12-19-17(21-24-12)14-11-23-10-9-22(14)15-7-8-18-16(20-15)13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3/t14-/m1/s1
InChIKeyCRNYQNYITGFVFA-CQSZACIVSA-N
MW323.36 g/mol
LogP2.41
Rot. Bonds3

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

(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine (PubChem CID 97344130) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
PubChem CID97344130
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
SMILESCc1nc([C@H]2COCCN2c2ccnc(-c3ccccc3)n2)no1
InChIInChI=1S/C17H17N5O2/c1-12-19-17(21-24-12)14-11-23-10-9-22(14)15-7-8-18-16(20-15)13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3/t14-/m1/s1
InChIKeyCRNYQNYITGFVFA-CQSZACIVSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine?
The IUPAC name of (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine (CID 97344130) is (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine.
What is the SMILES notation for (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine?
The canonical SMILES for (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine is Cc1nc([C@H]2COCCN2c2ccnc(-c3ccccc3)n2)no1.
What is the InChIKey of (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine?
The InChIKey is CRNYQNYITGFVFA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-19-17(21-24-12)14-11-23-10-9-22(14)15-7-8-18-16(20-15)13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3/t14-/m1/s1.
What are the key properties of (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine?
(3S)-3-(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 (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 97344130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).