N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide

C11H14N2O2 — CID 146102294

IUPACN-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1CC(C2CC2)=NO1
InChIInChI=1S/C11H14N2O2/c1-2-3-11(14)12-7-9-6-10(13-15-9)8-4-5-8/h8-9H,4-7H2,1H3,(H,12,14)
InChIKeyJUMHKWIHKCOMNT-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.68
Rot. Bonds3

About N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide

N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide (PubChem CID 146102294) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide
PubChem CID146102294
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1CC(C2CC2)=NO1
InChIInChI=1S/C11H14N2O2/c1-2-3-11(14)12-7-9-6-10(13-15-9)8-4-5-8/h8-9H,4-7H2,1H3,(H,12,14)
InChIKeyJUMHKWIHKCOMNT-UHFFFAOYSA-N
XLogP0.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide?
The IUPAC name of N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide (CID 146102294) is N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide.
What is the SMILES notation for N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide?
The canonical SMILES for N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide is CC#CC(=O)NCC1CC(C2CC2)=NO1.
What is the InChIKey of N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide?
The InChIKey is JUMHKWIHKCOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-3-11(14)12-7-9-6-10(13-15-9)8-4-5-8/h8-9H,4-7H2,1H3,(H,12,14).
What are the key properties of N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide?
N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide has a molecular weight of 206.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]but-2-ynamide is sourced from PubChem (CID 146102294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).