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N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide

C21H26F3N3O2 — CID 155768922

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide
SMILESCCCC(C)(C)C(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)CC1CC1
InChIInChI=1S/C21H26F3N3O2/c1-4-11-20(2,3)19(28)27(12-14-5-6-14)13-15-7-9-16(10-8-15)17-25-18(29-26-17)21(22,23)24/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyPSKTXHUCZMMOLW-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.32
Rot. Bonds8

About N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide

N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide (PubChem CID 155768922) has the molecular formula C21H26F3N3O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide
PubChem CID155768922
Molecular FormulaC21H26F3N3O2
Molecular Weight409.45 g/mol
Exact Mass409.20
IUPAC NameN-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide
SMILESCCCC(C)(C)C(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)CC1CC1
InChIInChI=1S/C21H26F3N3O2/c1-4-11-20(2,3)19(28)27(12-14-5-6-14)13-15-7-9-16(10-8-15)17-25-18(29-26-17)21(22,23)24/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyPSKTXHUCZMMOLW-UHFFFAOYSA-N
XLogP5.32
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide?
The IUPAC name of N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide (CID 155768922) is N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide is CCCC(C)(C)C(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide?
The InChIKey is PSKTXHUCZMMOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O2/c1-4-11-20(2,3)19(28)27(12-14-5-6-14)13-15-7-9-16(10-8-15)17-25-18(29-26-17)21(22,23)24/h7-10,14H,4-6,11-13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide?
N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide has a molecular weight of 409.45 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentanamide is sourced from PubChem (CID 155768922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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