(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one

C18H21N3O3 — CID 129001830

IUPAC(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
SMILESCc1nnc(C2CN(C(=O)CC/C=C/c3ccccc3)CCO2)o1
InChIInChI=1S/C18H21N3O3/c1-14-19-20-18(24-14)16-13-21(11-12-23-16)17(22)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9,16H,6,10-13H2,1H3/b9-5+
InChIKeyGJZFUHHCDGBFKZ-WEVVVXLNSA-N
MW327.38 g/mol
LogP2.77
Rot. Bonds5

About (E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one

(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one (PubChem CID 129001830) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
PubChem CID129001830
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
SMILESCc1nnc(C2CN(C(=O)CC/C=C/c3ccccc3)CCO2)o1
InChIInChI=1S/C18H21N3O3/c1-14-19-20-18(24-14)16-13-21(11-12-23-16)17(22)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9,16H,6,10-13H2,1H3/b9-5+
InChIKeyGJZFUHHCDGBFKZ-WEVVVXLNSA-N
XLogP2.77
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one?
The IUPAC name of (E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one (CID 129001830) is (E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one.
What is the SMILES notation for (E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one?
The canonical SMILES for (E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one is Cc1nnc(C2CN(C(=O)CC/C=C/c3ccccc3)CCO2)o1.
What is the InChIKey of (E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one?
The InChIKey is GJZFUHHCDGBFKZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14-19-20-18(24-14)16-13-21(11-12-23-16)17(22)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9,16H,6,10-13H2,1H3/b9-5+.
What are the key properties of (E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one?
(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one has a molecular weight of 327.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one is sourced from PubChem (CID 129001830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).