N-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C5H3F3N2O2 — CID 68724897

IUPACN-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC(F)(F)F)c1cocn1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)10-4(11)3-1-12-2-9-3/h1-2H,(H,10,11)
InChIKeyPRBKIXRKFCXBEO-UHFFFAOYSA-N
MW180.09 g/mol
LogP0.92
Rot. Bonds1

About N-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 68724897) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.09 g/mol. Its IUPAC name is N-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID68724897
Molecular FormulaC5H3F3N2O2
Molecular Weight180.09 g/mol
Exact Mass180.01
IUPAC NameN-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC(F)(F)F)c1cocn1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)10-4(11)3-1-12-2-9-3/h1-2H,(H,10,11)
InChIKeyPRBKIXRKFCXBEO-UHFFFAOYSA-N
XLogP0.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Oxazole-4-carbohydrazide
CID 49761715
Oxazole-4-carboxamide
CID 21651660
N-(diaminomethylidene)-1,3-oxazole-4-carboxamide
CID 123728548
2-(Trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 19786345
2-(Fluoromethyl)-1,3-oxazole-4-carboxamide
CID 89048684
N-(fluoromethyl)-1,3-oxazole-4-carboxamide
CID 89717365
2-(Difluoromethyl)-1,3-oxazole-4-carboxamide
CID 121334359
N-(difluoromethyl)-1,3-oxazole-4-carboxamide
CID 121334969
N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide
CID 123247201
N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 131089567
1,3-Oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 161755273
2-(2,2,2-Trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 171579642

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 68724897) is N-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(NC(F)(F)F)c1cocn1.
What is the InChIKey of N-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PRBKIXRKFCXBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2/c6-5(7,8)10-4(11)3-1-12-2-9-3/h1-2H,(H,10,11).
What are the key properties of N-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 180.09 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 68724897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).