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

C13H21N5O2 — CID 176515696

IUPAC4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine
SMILESCC1=NN(Cc2nnc(C)o2)C(CN2CCOCC2)C1
InChIInChI=1S/C13H21N5O2/c1-10-7-12(8-17-3-5-19-6-4-17)18(16-10)9-13-15-14-11(2)20-13/h12H,3-9H2,1-2H3
InChIKeyHKTFMDIIKWBKAM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.66
Rot. Bonds4

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

4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine (PubChem CID 176515696) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine
PubChem CID176515696
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine
SMILESCC1=NN(Cc2nnc(C)o2)C(CN2CCOCC2)C1
InChIInChI=1S/C13H21N5O2/c1-10-7-12(8-17-3-5-19-6-4-17)18(16-10)9-13-15-14-11(2)20-13/h12H,3-9H2,1-2H3
InChIKeyHKTFMDIIKWBKAM-UHFFFAOYSA-N
XLogP0.66
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine (CID 176515696) is 4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine is CC1=NN(Cc2nnc(C)o2)C(CN2CCOCC2)C1.
What is the InChIKey of 4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine?
The InChIKey is HKTFMDIIKWBKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10-7-12(8-17-3-5-19-6-4-17)18(16-10)9-13-15-14-11(2)20-13/h12H,3-9H2,1-2H3.
What are the key properties of 4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine?
4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine has a molecular weight of 279.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 176515696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).