(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine

C17H19N5O2 — CID 99825862

IUPAC(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine
SMILESCc1noc([C@H]2COCCN2Cc2cnc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C17H19N5O2/c1-12-19-17(24-21-12)15-11-23-8-7-22(15)10-14-9-18-16(20-14)13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-11H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyOXEGSTXQSWBBRV-OAHLLOKOSA-N
MW325.37 g/mol
LogP2.34
Rot. Bonds4

About (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine

(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine (PubChem CID 99825862) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine
PubChem CID99825862
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine
SMILESCc1noc([C@H]2COCCN2Cc2cnc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C17H19N5O2/c1-12-19-17(24-21-12)15-11-23-8-7-22(15)10-14-9-18-16(20-14)13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-11H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyOXEGSTXQSWBBRV-OAHLLOKOSA-N
XLogP2.34
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine?
The IUPAC name of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine (CID 99825862) is (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine.
What is the SMILES notation for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine?
The canonical SMILES for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine is Cc1noc([C@H]2COCCN2Cc2cnc(-c3ccccc3)[nH]2)n1.
What is the InChIKey of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine?
The InChIKey is OXEGSTXQSWBBRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-19-17(24-21-12)15-11-23-8-7-22(15)10-14-9-18-16(20-14)13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-11H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine?
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine has a molecular weight of 325.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine is sourced from PubChem (CID 99825862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).