(5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C17H17N5O3 — CID 75474973

IUPAC(5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C17H17N5O3/c1-11-9-13(20-19-11)17(23)22-7-8-24-10-14(22)15-18-16(25-21-15)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3,(H,19,20)
InChIKeyYZKWXWFDYHDHII-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.98
Rot. Bonds3

About (5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

(5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75474973) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID75474973
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C17H17N5O3/c1-11-9-13(20-19-11)17(23)22-7-8-24-10-14(22)15-18-16(25-21-15)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3,(H,19,20)
InChIKeyYZKWXWFDYHDHII-UHFFFAOYSA-N
XLogP1.98
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 75474973) is (5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is YZKWXWFDYHDHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-9-13(20-19-11)17(23)22-7-8-24-10-14(22)15-18-16(25-21-15)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3,(H,19,20).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 339.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75474973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).