N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H22FN3O3 — CID 39945984

IUPACN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)CCc2nc(C(C)C)no2)cc1F
InChIInChI=1S/C17H22FN3O3/c1-10(2)17-20-16(24-21-17)8-7-15(22)19-11(3)12-5-6-14(23-4)13(18)9-12/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)/t11-/m1/s1
InChIKeyBYZALRQZMRQBMS-LLVKDONJSA-N
MW335.38 g/mol
LogP3.15
Rot. Bonds7

About N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 39945984) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID39945984
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)CCc2nc(C(C)C)no2)cc1F
InChIInChI=1S/C17H22FN3O3/c1-10(2)17-20-16(24-21-17)8-7-15(22)19-11(3)12-5-6-14(23-4)13(18)9-12/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)/t11-/m1/s1
InChIKeyBYZALRQZMRQBMS-LLVKDONJSA-N
XLogP3.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46485160
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46442154
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 94023291
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 42921818
3-(2-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46674104
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 55748131
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200881
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24550136
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 39945984) is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccc([C@@H](C)NC(=O)CCc2nc(C(C)C)no2)cc1F.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is BYZALRQZMRQBMS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-10(2)17-20-16(24-21-17)8-7-15(22)19-11(3)12-5-6-14(23-4)13(18)9-12/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 335.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 39945984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).