prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

C11H13NO3 — CID 60593172

IUPACprop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESC#CCOC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C11H13NO3/c1-5-6-14-11(13)9-8(4)12-15-10(9)7(2)3/h1,7H,6H2,2-4H3
InChIKeyPAWLWGDDXLZTNT-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.90
Rot. Bonds3

About prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate (PubChem CID 60593172) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameprop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
PubChem CID60593172
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameprop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESC#CCOC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C11H13NO3/c1-5-6-14-11(13)9-8(4)12-15-10(9)7(2)3/h1,7H,6H2,2-4H3
InChIKeyPAWLWGDDXLZTNT-UHFFFAOYSA-N
XLogP1.90
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate 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

methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 103958065
[2-(4-acetamidoanilino)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507228
(1-propyltetrazol-5-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 55403111
3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 95318865
methyl 4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoate
CID 43407276
[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 55445325
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 46818311
[2-(2-acetylanilino)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507426
(2-chloroquinolin-3-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507914
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43500671
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 134005900

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The IUPAC name of prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate (CID 60593172) is prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The canonical SMILES for prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is C#CCOC(=O)c1c(C)noc1C(C)C.
What is the InChIKey of prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The InChIKey is PAWLWGDDXLZTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-5-6-14-11(13)9-8(4)12-15-10(9)7(2)3/h1,7H,6H2,2-4H3.
What are the key properties of prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 60593172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).