N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C10H8F3N3O3 — CID 138035612

IUPACN-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ncoc1CNC(=O)c1ncoc1C(F)(F)F
InChIInChI=1S/C10H8F3N3O3/c1-5-6(18-3-15-5)2-14-9(17)7-8(10(11,12)13)19-4-16-7/h3-4H,2H2,1H3,(H,14,17)
InChIKeyUOGFHSJMSLUBTE-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.92
Rot. Bonds3

About N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 138035612) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID138035612
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC NameN-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ncoc1CNC(=O)c1ncoc1C(F)(F)F
InChIInChI=1S/C10H8F3N3O3/c1-5-6(18-3-15-5)2-14-9(17)7-8(10(11,12)13)19-4-16-7/h3-4H,2H2,1H3,(H,14,17)
InChIKeyUOGFHSJMSLUBTE-UHFFFAOYSA-N
XLogP1.92
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 138035612) is N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1ncoc1CNC(=O)c1ncoc1C(F)(F)F.
What is the InChIKey of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is UOGFHSJMSLUBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-5-6(18-3-15-5)2-14-9(17)7-8(10(11,12)13)19-4-16-7/h3-4H,2H2,1H3,(H,14,17).
What are the key properties of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 275.19 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138035612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).