prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate

C9H7F3N2O3 — CID 2727124

IUPACprop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate
SMILESC#CCOC(=O)Nc1nc(C)oc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O3/c1-3-4-16-8(15)14-7-6(9(10,11)12)17-5(2)13-7/h1H,4H2,2H3,(H,14,15)
InChIKeyDEYMWXPJXZUULM-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.18
Rot. Bonds2

About prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate

prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate (PubChem CID 2727124) has the molecular formula C9H7F3N2O3 and a molecular weight of 248.16 g/mol. Its IUPAC name is prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate
PubChem CID2727124
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC Nameprop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate
SMILESC#CCOC(=O)Nc1nc(C)oc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O3/c1-3-4-16-8(15)14-7-6(9(10,11)12)17-5(2)13-7/h1H,4H2,2H3,(H,14,15)
InChIKeyDEYMWXPJXZUULM-UHFFFAOYSA-N
XLogP2.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate?
The IUPAC name of prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate (CID 2727124) is prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate.
What is the SMILES notation for prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate?
The canonical SMILES for prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate is C#CCOC(=O)Nc1nc(C)oc1C(F)(F)F.
What is the InChIKey of prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate?
The InChIKey is DEYMWXPJXZUULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O3/c1-3-4-16-8(15)14-7-6(9(10,11)12)17-5(2)13-7/h1H,4H2,2H3,(H,14,15).
What are the key properties of prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate?
prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate has a molecular weight of 248.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate is sourced from PubChem (CID 2727124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).