3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine

C19H23N5O2 — CID 75474365

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
SMILESCc1nc(CN2CCOCC2c2c(C)nn(-c3ccccc3)c2C)no1
InChIInChI=1S/C19H23N5O2/c1-13-19(14(2)24(21-13)16-7-5-4-6-8-16)17-12-25-10-9-23(17)11-18-20-15(3)26-22-18/h4-8,17H,9-12H2,1-3H3
InChIKeyXPDSLAJZPIPHLR-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.75
Rot. Bonds4

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine (PubChem CID 75474365) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
PubChem CID75474365
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
SMILESCc1nc(CN2CCOCC2c2c(C)nn(-c3ccccc3)c2C)no1
InChIInChI=1S/C19H23N5O2/c1-13-19(14(2)24(21-13)16-7-5-4-6-8-16)17-12-25-10-9-23(17)11-18-20-15(3)26-22-18/h4-8,17H,9-12H2,1-3H3
InChIKeyXPDSLAJZPIPHLR-UHFFFAOYSA-N
XLogP2.75
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine (CID 75474365) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine is Cc1nc(CN2CCOCC2c2c(C)nn(-c3ccccc3)c2C)no1.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The InChIKey is XPDSLAJZPIPHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-19(14(2)24(21-13)16-7-5-4-6-8-16)17-12-25-10-9-23(17)11-18-20-15(3)26-22-18/h4-8,17H,9-12H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine has a molecular weight of 353.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine is sourced from PubChem (CID 75474365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).