3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate

C13H17N3O4 — CID 167974510

IUPAC3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate
SMILESC=C(CCOC(C)=O)C(=O)NCc1noc(C2CC2)n1
InChIInChI=1S/C13H17N3O4/c1-8(5-6-19-9(2)17)12(18)14-7-11-15-13(20-16-11)10-3-4-10/h10H,1,3-7H2,2H3,(H,14,18)
InChIKeyAXZAGGRPNONKGQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.07
Rot. Bonds7

About 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate (PubChem CID 167974510) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate
PubChem CID167974510
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate
SMILESC=C(CCOC(C)=O)C(=O)NCc1noc(C2CC2)n1
InChIInChI=1S/C13H17N3O4/c1-8(5-6-19-9(2)17)12(18)14-7-11-15-13(20-16-11)10-3-4-10/h10H,1,3-7H2,2H3,(H,14,18)
InChIKeyAXZAGGRPNONKGQ-UHFFFAOYSA-N
XLogP1.07
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 131949110
trans-methyl (1R,2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]cycloheptane-1-carboxylate
CID 99716354
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 131905937
ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62013173
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 131918823
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide
CID 91785855
ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
CID 60564844
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-propylpyrimidine-5-carboxamide
CID 122559370
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate?
The IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate (CID 167974510) is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate.
What is the SMILES notation for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate?
The canonical SMILES for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate is C=C(CCOC(C)=O)C(=O)NCc1noc(C2CC2)n1.
What is the InChIKey of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate?
The InChIKey is AXZAGGRPNONKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8(5-6-19-9(2)17)12(18)14-7-11-15-13(20-16-11)10-3-4-10/h10H,1,3-7H2,2H3,(H,14,18).
What are the key properties of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate?
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate has a molecular weight of 279.30 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate is sourced from PubChem (CID 167974510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).