2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide

C16H14F3N5O2 — CID 162511085

IUPAC2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1ccnc1-c1cc(F)cc(-c2nnc(C(F)F)o2)c1
InChIInChI=1S/C16H14F3N5O2/c1-2-20-12(25)8-24-4-3-21-14(24)9-5-10(7-11(17)6-9)15-22-23-16(26-15)13(18)19/h3-7,13H,2,8H2,1H3,(H,20,25)
InChIKeyPBZVPBLAELXNNW-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.81
Rot. Bonds6

About 2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide

2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide (PubChem CID 162511085) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide
PubChem CID162511085
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1ccnc1-c1cc(F)cc(-c2nnc(C(F)F)o2)c1
InChIInChI=1S/C16H14F3N5O2/c1-2-20-12(25)8-24-4-3-21-14(24)9-5-10(7-11(17)6-9)15-22-23-16(26-15)13(18)19/h3-7,13H,2,8H2,1H3,(H,20,25)
InChIKeyPBZVPBLAELXNNW-UHFFFAOYSA-N
XLogP2.81
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 162510988
[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid
CID 166061915
2-(difluoromethyl)-5-[3-fluoro-5-[3-[(3-methyloxetan-3-yl)methoxy]-2-pyridinyl]phenyl]-1,3,4-oxadiazole
CID 162511092
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50848219
N-ethyl-2-[ethyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8683321
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 156525912
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 156891692
N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-oxo-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-pyridinyl]acetamide
CID 53040443
N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide
CID 135320968
N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide
CID 146676711

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide (CID 162511085) is 2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide is CCNC(=O)Cn1ccnc1-c1cc(F)cc(-c2nnc(C(F)F)o2)c1.
What is the InChIKey of 2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide?
The InChIKey is PBZVPBLAELXNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-2-20-12(25)8-24-4-3-21-14(24)9-5-10(7-11(17)6-9)15-22-23-16(26-15)13(18)19/h3-7,13H,2,8H2,1H3,(H,20,25).
What are the key properties of 2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide?
2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide has a molecular weight of 365.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]imidazol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 162511085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).