N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide

C9H14N4O2 — CID 102791106

IUPACN-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC=CCNCc1nc(C(=O)NCC)no1
InChIInChI=1S/C9H14N4O2/c1-3-5-10-6-7-12-8(13-15-7)9(14)11-4-2/h3,10H,1,4-6H2,2H3,(H,11,14)
InChIKeyRJKSRNVLYGZAGV-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.09
Rot. Bonds6

About N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide

N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791106) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791106
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC=CCNCc1nc(C(=O)NCC)no1
InChIInChI=1S/C9H14N4O2/c1-3-5-10-6-7-12-8(13-15-7)9(14)11-4-2/h3,10H,1,4-6H2,2H3,(H,11,14)
InChIKeyRJKSRNVLYGZAGV-UHFFFAOYSA-N
XLogP0.09
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 102791106) is N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is C=CCNCc1nc(C(=O)NCC)no1.
What is the InChIKey of N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RJKSRNVLYGZAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-5-10-6-7-12-8(13-15-7)9(14)11-4-2/h3,10H,1,4-6H2,2H3,(H,11,14).
What are the key properties of N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).