N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C14H12F3N3O2 — CID 71230878

IUPACN-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCC1CC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)13-19-11(20-22-13)9-3-5-10(6-4-9)12(21)18-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,18,21)
InChIKeyUZDLGBNHYREMCH-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.90
Rot. Bonds4

About N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230878) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230878
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC NameN-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCC1CC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)13-19-11(20-22-13)9-3-5-10(6-4-9)12(21)18-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,18,21)
InChIKeyUZDLGBNHYREMCH-UHFFFAOYSA-N
XLogP2.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230878) is N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCC1CC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is UZDLGBNHYREMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)13-19-11(20-22-13)9-3-5-10(6-4-9)12(21)18-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 311.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).