N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide

C18H22F3N3O3 — CID 42384402

IUPACN-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCC[C@@H](COC)NC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C18H22F3N3O3/c1-3-14(11-26-2)22-15(25)7-8-16-23-24-17(27-16)10-12-5-4-6-13(9-12)18(19,20)21/h4-6,9,14H,3,7-8,10-11H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeySGRBLMWNPTWKLP-AWEZNQCLSA-N
MW385.39 g/mol
LogP3.15
Rot. Bonds9

About N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide

N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 42384402) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID42384402
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC NameN-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCC[C@@H](COC)NC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C18H22F3N3O3/c1-3-14(11-26-2)22-15(25)7-8-16-23-24-17(27-16)10-12-5-4-6-13(9-12)18(19,20)21/h4-6,9,14H,3,7-8,10-11H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeySGRBLMWNPTWKLP-AWEZNQCLSA-N
XLogP3.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-methoxybutan-2-yl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42190261
N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 45173713
N-benzyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25293057
N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42360109
N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42395092
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
1-thiomorpholin-4-yl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 25372606
(3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
CID 25488769
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 24792963
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
[1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105207214

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 42384402) is N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide is CC[C@@H](COC)NC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is SGRBLMWNPTWKLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c1-3-14(11-26-2)22-15(25)7-8-16-23-24-17(27-16)10-12-5-4-6-13(9-12)18(19,20)21/h4-6,9,14H,3,7-8,10-11H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 385.39 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 42384402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).