N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide

C8H12N4O2 — CID 106397150

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCc1ncon1
InChIInChI=1S/C8H12N4O2/c1-2-3-9-5-8(13)10-4-7-11-6-14-12-7/h2,6,9H,1,3-5H2,(H,10,13)
InChIKeyHSYRSFAFNGSRAA-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.54
Rot. Bonds6

About N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide

N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide (PubChem CID 106397150) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide
PubChem CID106397150
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCc1ncon1
InChIInChI=1S/C8H12N4O2/c1-2-3-9-5-8(13)10-4-7-11-6-14-12-7/h2,6,9H,1,3-5H2,(H,10,13)
InChIKeyHSYRSFAFNGSRAA-UHFFFAOYSA-N
XLogP-0.54
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.54
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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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 106396923
2-(1,2,4-oxadiazol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106399240
1-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]-3-prop-2-enylurea
CID 49723431
5-methyl-N-prop-2-enyl-1,2,4-oxadiazole-3-carboxamide
CID 64590413
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(prop-2-enylamino)acetamide
CID 79280507
N~1~-allyl-N~2~-ethyl-N~2~-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]glycinamide
CID 91837752
5-[(Prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790068
N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790428
N-ethyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791106
N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine
CID 102993675
N-[(E)-4-aminobut-2-enyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 104461694
N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide
CID 106395489

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide (CID 106397150) is N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is HSYRSFAFNGSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-3-9-5-8(13)10-4-7-11-6-14-12-7/h2,6,9H,1,3-5H2,(H,10,13).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide?
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 196.21 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 106397150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).