N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide

C14H18F3N3O2 — CID 166433817

IUPACN-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide
SMILESO=C(CC1CCCC(C(F)(F)F)O1)NC1(c2ncc[nH]2)CC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)10-3-1-2-9(22-10)8-11(21)20-13(4-5-13)12-18-6-7-19-12/h6-7,9-10H,1-5,8H2,(H,18,19)(H,20,21)
InChIKeyAEFVZTQYCLPFJE-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide

N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide (PubChem CID 166433817) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide
PubChem CID166433817
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide
SMILESO=C(CC1CCCC(C(F)(F)F)O1)NC1(c2ncc[nH]2)CC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)10-3-1-2-9(22-10)8-11(21)20-13(4-5-13)12-18-6-7-19-12/h6-7,9-10H,1-5,8H2,(H,18,19)(H,20,21)
InChIKeyAEFVZTQYCLPFJE-UHFFFAOYSA-N
XLogP2.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide (CID 166433817) is N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide is O=C(CC1CCCC(C(F)(F)F)O1)NC1(c2ncc[nH]2)CC1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide?
The InChIKey is AEFVZTQYCLPFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)10-3-1-2-9(22-10)8-11(21)20-13(4-5-13)12-18-6-7-19-12/h6-7,9-10H,1-5,8H2,(H,18,19)(H,20,21).
What are the key properties of N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide?
N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide has a molecular weight of 317.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)cyclopropyl]-2-[6-(trifluoromethyl)oxan-2-yl]acetamide is sourced from PubChem (CID 166433817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).