5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole

C7H5F2NO — CID 19921852

IUPAC5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole
SMILESCC#Cc1cc(C(F)F)on1
InChIInChI=1S/C7H5F2NO/c1-2-3-5-4-6(7(8)9)11-10-5/h4,7H,1H3
InChIKeyUXMJBEJIKDYJGI-UHFFFAOYSA-N
MW157.12 g/mol
LogP1.98
Rot. Bonds1

About 5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole

5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole (PubChem CID 19921852) has the molecular formula C7H5F2NO and a molecular weight of 157.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole
PubChem CID19921852
Molecular FormulaC7H5F2NO
Molecular Weight157.12 g/mol
Exact Mass157.03
IUPAC Name5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole
SMILESCC#Cc1cc(C(F)F)on1
InChIInChI=1S/C7H5F2NO/c1-2-3-5-4-6(7(8)9)11-10-5/h4,7H,1H3
InChIKeyUXMJBEJIKDYJGI-UHFFFAOYSA-N
XLogP1.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole?
The IUPAC name of 5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole (CID 19921852) is 5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole?
The canonical SMILES for 5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole is CC#Cc1cc(C(F)F)on1.
What is the InChIKey of 5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole?
The InChIKey is UXMJBEJIKDYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO/c1-2-3-5-4-6(7(8)9)11-10-5/h4,7H,1H3.
What are the key properties of 5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole?
5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole has a molecular weight of 157.12 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-prop-1-ynyl-1,2-oxazole is sourced from PubChem (CID 19921852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).