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

C8H12N4O2 — CID 102790428

IUPACN-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC=CCNCc1nc(C(=O)NC)no1
InChIInChI=1S/C8H12N4O2/c1-3-4-10-5-6-11-7(12-14-6)8(13)9-2/h3,10H,1,4-5H2,2H3,(H,9,13)
InChIKeyRKKSTWOLMZKRID-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.30
Rot. Bonds5

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

N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790428) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790428
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC=CCNCc1nc(C(=O)NC)no1
InChIInChI=1S/C8H12N4O2/c1-3-4-10-5-6-11-7(12-14-6)8(13)9-2/h3,10H,1,4-5H2,2H3,(H,9,13)
InChIKeyRKKSTWOLMZKRID-UHFFFAOYSA-N
XLogP-0.30
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.30
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-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790428) is N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is C=CCNCc1nc(C(=O)NC)no1.
What is the InChIKey of N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RKKSTWOLMZKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3-4-10-5-6-11-7(12-14-6)8(13)9-2/h3,10H,1,4-5H2,2H3,(H,9,13).
What are the key properties of N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).