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

C14H22ClN5O2 — CID 176515720

IUPAC4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine
SMILESCCC1=NN(Cc2nnc(CCl)o2)C(CN2CCOCC2)C1
InChIInChI=1S/C14H22ClN5O2/c1-2-11-7-12(9-19-3-5-21-6-4-19)20(18-11)10-14-17-16-13(8-15)22-14/h12H,2-10H2,1H3
InChIKeyFQPCAFNVCJYQHA-UHFFFAOYSA-N
MW327.82 g/mol
LogP1.48
Rot. Bonds6

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

4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine (PubChem CID 176515720) has the molecular formula C14H22ClN5O2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine
PubChem CID176515720
Molecular FormulaC14H22ClN5O2
Molecular Weight327.82 g/mol
Exact Mass327.15
IUPAC Name4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine
SMILESCCC1=NN(Cc2nnc(CCl)o2)C(CN2CCOCC2)C1
InChIInChI=1S/C14H22ClN5O2/c1-2-11-7-12(9-19-3-5-21-6-4-19)20(18-11)10-14-17-16-13(8-15)22-14/h12H,2-10H2,1H3
InChIKeyFQPCAFNVCJYQHA-UHFFFAOYSA-N
XLogP1.48
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine (CID 176515720) is 4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine is CCC1=NN(Cc2nnc(CCl)o2)C(CN2CCOCC2)C1.
What is the InChIKey of 4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine?
The InChIKey is FQPCAFNVCJYQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O2/c1-2-11-7-12(9-19-3-5-21-6-4-19)20(18-11)10-14-17-16-13(8-15)22-14/h12H,2-10H2,1H3.
What are the key properties of 4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine?
4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine has a molecular weight of 327.82 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]methyl]-5-ethyl-3,4-dihydropyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 176515720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).