N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide

C15H16F3N3O3 — CID 99972532

IUPACN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide
SMILESCc1nnc(CN(C)C(=O)CO[C@H](c2ccccc2)C(F)(F)F)o1
InChIInChI=1S/C15H16F3N3O3/c1-10-19-20-12(24-10)8-21(2)13(22)9-23-14(15(16,17)18)11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3/t14-/m1/s1
InChIKeyNQKKESZHQXQEGL-CQSZACIVSA-N
MW343.31 g/mol
LogP2.66
Rot. Bonds6

About N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide (PubChem CID 99972532) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide
PubChem CID99972532
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide
SMILESCc1nnc(CN(C)C(=O)CO[C@H](c2ccccc2)C(F)(F)F)o1
InChIInChI=1S/C15H16F3N3O3/c1-10-19-20-12(24-10)8-21(2)13(22)9-23-14(15(16,17)18)11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3/t14-/m1/s1
InChIKeyNQKKESZHQXQEGL-CQSZACIVSA-N
XLogP2.66
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide (CID 99972532) is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide is Cc1nnc(CN(C)C(=O)CO[C@H](c2ccccc2)C(F)(F)F)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide?
The InChIKey is NQKKESZHQXQEGL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-10-19-20-12(24-10)8-21(2)13(22)9-23-14(15(16,17)18)11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3/t14-/m1/s1.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide?
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide has a molecular weight of 343.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide is sourced from PubChem (CID 99972532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).