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

C9H10N2O3 — CID 146109155

IUPACN-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1cc(OC)no1
InChIInChI=1S/C9H10N2O3/c1-3-4-8(12)10-6-7-5-9(13-2)11-14-7/h5H,6H2,1-2H3,(H,10,12)
InChIKeyTVRYMSOYDBDRIS-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.32
Rot. Bonds3

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

N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide (PubChem CID 146109155) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide
PubChem CID146109155
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1cc(OC)no1
InChIInChI=1S/C9H10N2O3/c1-3-4-8(12)10-6-7-5-9(13-2)11-14-7/h5H,6H2,1-2H3,(H,10,12)
InChIKeyTVRYMSOYDBDRIS-UHFFFAOYSA-N
XLogP0.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-ynamide
CID 130901679
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide
CID 126831267
2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde
CID 162341476
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
1-(3-methoxy-1,2-oxazol-5-yl)-2-methylpropan-2-amine
CID 82598197
[1-hydroxy-3-(3-methoxy-1,2-oxazol-5-yl)-1-phosphonopropyl]phosphonic acid
CID 21284775
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]cyclohexanamine
CID 126837976
N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802436
12-(3-methoxy-1,2-oxazol-5-yl)dodecane-2,6-dione
CID 155198904
N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 75455329
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]but-2-ynamide
CID 146076189

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide?
The IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide (CID 146109155) is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide.
What is the SMILES notation for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide?
The canonical SMILES for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide is CC#CC(=O)NCc1cc(OC)no1.
What is the InChIKey of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide?
The InChIKey is TVRYMSOYDBDRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-3-4-8(12)10-6-7-5-9(13-2)11-14-7/h5H,6H2,1-2H3,(H,10,12).
What are the key properties of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide?
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide has a molecular weight of 194.19 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide is sourced from PubChem (CID 146109155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).