N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C10H8F3N3O3 — CID 138036074

IUPACN-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2ncoc2C(F)(F)F)o1
InChIInChI=1S/C10H8F3N3O3/c1-5-14-2-6(19-5)3-15-9(17)7-8(10(11,12)13)18-4-16-7/h2,4H,3H2,1H3,(H,15,17)
InChIKeyNSXZGGYGRJNMGN-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.92
Rot. Bonds3

About N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 138036074) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID138036074
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC NameN-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2ncoc2C(F)(F)F)o1
InChIInChI=1S/C10H8F3N3O3/c1-5-14-2-6(19-5)3-15-9(17)7-8(10(11,12)13)18-4-16-7/h2,4H,3H2,1H3,(H,15,17)
InChIKeyNSXZGGYGRJNMGN-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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Related Compounds

CID 66727668
CID 66727668
CID 120409769
CID 120409769
CID 120409770
CID 120409770
CID 130667985
CID 130667985
CID 138035612
CID 138035612
CID 167853477
CID 167853477
CID 167966103
CID 167966103
CID 106370730
CID 106370730
CID 119553402
CID 119553402

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 138036074) is N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1ncc(CNC(=O)c2ncoc2C(F)(F)F)o1.
What is the InChIKey of N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NSXZGGYGRJNMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-5-14-2-6(19-5)3-15-9(17)7-8(10(11,12)13)18-4-16-7/h2,4H,3H2,1H3,(H,15,17).
What are the key properties of N-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[(2-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-[(2-methyl-1,3-oxazol-5-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138036074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).