N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide

C10H13N3O2 — CID 130489489

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H13N3O2/c1-6(2)5-8(14)11-10-13-12-9(15-10)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,11,13,14)
InChIKeyYHBDOMAGRYDTCN-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.85
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide (PubChem CID 130489489) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide
PubChem CID130489489
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H13N3O2/c1-6(2)5-8(14)11-10-13-12-9(15-10)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,11,13,14)
InChIKeyYHBDOMAGRYDTCN-UHFFFAOYSA-N
XLogP1.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide (CID 130489489) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide?
The InChIKey is YHBDOMAGRYDTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(2)5-8(14)11-10-13-12-9(15-10)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,11,13,14).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide has a molecular weight of 207.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-methylbut-2-enamide is sourced from PubChem (CID 130489489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).