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

C14H23N5O2 — CID 176515705

IUPAC4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine
SMILESCCC1=NN(Cc2nnc(C)o2)C(CN2CCOCC2)C1
InChIInChI=1S/C14H23N5O2/c1-3-12-8-13(9-18-4-6-20-7-5-18)19(17-12)10-14-16-15-11(2)21-14/h13H,3-10H2,1-2H3
InChIKeyJNVFNMKJXLARGM-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.05
Rot. Bonds5

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

4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine (PubChem CID 176515705) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine
PubChem CID176515705
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine
SMILESCCC1=NN(Cc2nnc(C)o2)C(CN2CCOCC2)C1
InChIInChI=1S/C14H23N5O2/c1-3-12-8-13(9-18-4-6-20-7-5-18)19(17-12)10-14-16-15-11(2)21-14/h13H,3-10H2,1-2H3
InChIKeyJNVFNMKJXLARGM-UHFFFAOYSA-N
XLogP1.05
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine (CID 176515705) is 4-[[5-ethyl-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-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine is CCC1=NN(Cc2nnc(C)o2)C(CN2CCOCC2)C1.
What is the InChIKey of 4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine?
The InChIKey is JNVFNMKJXLARGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-12-8-13(9-18-4-6-20-7-5-18)19(17-12)10-14-16-15-11(2)21-14/h13H,3-10H2,1-2H3.
What are the key properties of 4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine?
4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine has a molecular weight of 293.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydropyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 176515705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).