5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C12H14N6O3 — CID 89213770

IUPAC5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESC=CO/C(=C\C)c1cc(C(=O)NCCn2ncnn2)no1
InChIInChI=1S/C12H14N6O3/c1-3-10(20-4-2)11-7-9(16-21-11)12(19)13-5-6-18-15-8-14-17-18/h3-4,7-8H,2,5-6H2,1H3,(H,13,19)/b10-3-
InChIKeyOYEIUSNASMQVFA-KMKOMSMNSA-N
MW290.28 g/mol
LogP0.61
Rot. Bonds7

About 5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 89213770) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID89213770
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESC=CO/C(=C\C)c1cc(C(=O)NCCn2ncnn2)no1
InChIInChI=1S/C12H14N6O3/c1-3-10(20-4-2)11-7-9(16-21-11)12(19)13-5-6-18-15-8-14-17-18/h3-4,7-8H,2,5-6H2,1H3,(H,13,19)/b10-3-
InChIKeyOYEIUSNASMQVFA-KMKOMSMNSA-N
XLogP0.61
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 89213770) is 5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is C=CO/C(=C\C)c1cc(C(=O)NCCn2ncnn2)no1.
What is the InChIKey of 5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OYEIUSNASMQVFA-KMKOMSMNSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-3-10(20-4-2)11-7-9(16-21-11)12(19)13-5-6-18-15-8-14-17-18/h3-4,7-8H,2,5-6H2,1H3,(H,13,19)/b10-3-.
What are the key properties of 5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-ethenoxyprop-1-enyl]-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 89213770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).