5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide

C14H19F3N2O2 — CID 167745059

IUPAC5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)CC(NC(=O)c1ncoc1C1CC1)C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-13(2,3)6-9(14(15,16)17)19-12(20)10-11(8-4-5-8)21-7-18-10/h7-9H,4-6H2,1-3H3,(H,19,20)
InChIKeyBOMHLYIIZSIGJW-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.65
Rot. Bonds4

About 5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 167745059) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID167745059
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)CC(NC(=O)c1ncoc1C1CC1)C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-13(2,3)6-9(14(15,16)17)19-12(20)10-11(8-4-5-8)21-7-18-10/h7-9H,4-6H2,1-3H3,(H,19,20)
InChIKeyBOMHLYIIZSIGJW-UHFFFAOYSA-N
XLogP3.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide (CID 167745059) is 5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide is CC(C)(C)CC(NC(=O)c1ncoc1C1CC1)C(F)(F)F.
What is the InChIKey of 5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is BOMHLYIIZSIGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-13(2,3)6-9(14(15,16)17)19-12(20)10-11(8-4-5-8)21-7-18-10/h7-9H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167745059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).