(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate

C15H16N3O4S- — CID 8706291

IUPAC(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate
SMILESCc1nnc(S/C(=C/c2ccc(N3CCCCC3)o2)C(=O)[O-])o1
InChIInChI=1S/C15H17N3O4S/c1-10-16-17-15(21-10)23-12(14(19)20)9-11-5-6-13(22-11)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,19,20)/p-1/b12-9+
InChIKeyMLGNZQZKCSLBQK-FMIVXFBMSA-M
MW334.38 g/mol
LogP1.84
Rot. Bonds5

About (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate

(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate (PubChem CID 8706291) has the molecular formula C15H16N3O4S- and a molecular weight of 334.38 g/mol. Its IUPAC name is (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate
PubChem CID8706291
Molecular FormulaC15H16N3O4S-
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate
SMILESCc1nnc(S/C(=C/c2ccc(N3CCCCC3)o2)C(=O)[O-])o1
InChIInChI=1S/C15H17N3O4S/c1-10-16-17-15(21-10)23-12(14(19)20)9-11-5-6-13(22-11)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,19,20)/p-1/b12-9+
InChIKeyMLGNZQZKCSLBQK-FMIVXFBMSA-M
XLogP1.84
TPSA95.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate?
The IUPAC name of (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate (CID 8706291) is (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate?
The canonical SMILES for (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate is Cc1nnc(S/C(=C/c2ccc(N3CCCCC3)o2)C(=O)[O-])o1.
What is the InChIKey of (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate?
The InChIKey is MLGNZQZKCSLBQK-FMIVXFBMSA-M. The full InChI is InChI=1S/C15H17N3O4S/c1-10-16-17-15(21-10)23-12(14(19)20)9-11-5-6-13(22-11)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,19,20)/p-1/b12-9+.
What are the key properties of (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate?
(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate has a molecular weight of 334.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 8706291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).