(Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid

C12H10N2O4 — CID 35752897

IUPAC(Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccco1)c1nnc(C2CC2)o1
InChIInChI=1S/C12H10N2O4/c15-12(16)9(6-8-2-1-5-17-8)11-14-13-10(18-11)7-3-4-7/h1-2,5-7H,3-4H2,(H,15,16)/b9-6-
InChIKeyIWRIRADCJLYKMB-TWGQIWQCSA-N
MW246.22 g/mol
LogP2.17
Rot. Bonds4

About (Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid

(Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid (PubChem CID 35752897) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is (Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid
PubChem CID35752897
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name(Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccco1)c1nnc(C2CC2)o1
InChIInChI=1S/C12H10N2O4/c15-12(16)9(6-8-2-1-5-17-8)11-14-13-10(18-11)7-3-4-7/h1-2,5-7H,3-4H2,(H,15,16)/b9-6-
InChIKeyIWRIRADCJLYKMB-TWGQIWQCSA-N
XLogP2.17
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid (CID 35752897) is (Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid is O=C(O)/C(=C\c1ccco1)c1nnc(C2CC2)o1.
What is the InChIKey of (Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid?
The InChIKey is IWRIRADCJLYKMB-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-12(16)9(6-8-2-1-5-17-8)11-14-13-10(18-11)7-3-4-7/h1-2,5-7H,3-4H2,(H,15,16)/b9-6-.
What are the key properties of (Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid?
(Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid has a molecular weight of 246.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid is sourced from PubChem (CID 35752897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).