N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride

C18H24ClFN4O3 — CID 154895973

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
SMILESCOc1ccccc1-c1noc(CCCC(=O)NC[C@@H]2C[C@H](F)CN2)n1.Cl
InChIInChI=1S/C18H23FN4O3.ClH/c1-25-15-6-3-2-5-14(15)18-22-17(26-23-18)8-4-7-16(24)21-11-13-9-12(19)10-20-13;/h2-3,5-6,12-13,20H,4,7-11H2,1H3,(H,21,24);1H/t12-,13-;/m0./s1
InChIKeyZUBAXJXMNDGHFX-QNTKWALQSA-N
MW398.87 g/mol
LogP2.31
Rot. Bonds8

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride (PubChem CID 154895973) has the molecular formula C18H24ClFN4O3 and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
PubChem CID154895973
Molecular FormulaC18H24ClFN4O3
Molecular Weight398.87 g/mol
Exact Mass398.15
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
SMILESCOc1ccccc1-c1noc(CCCC(=O)NC[C@@H]2C[C@H](F)CN2)n1.Cl
InChIInChI=1S/C18H23FN4O3.ClH/c1-25-15-6-3-2-5-14(15)18-22-17(26-23-18)8-4-7-16(24)21-11-13-9-12(19)10-20-13;/h2-3,5-6,12-13,20H,4,7-11H2,1H3,(H,21,24);1H/t12-,13-;/m0./s1
InChIKeyZUBAXJXMNDGHFX-QNTKWALQSA-N
XLogP2.31
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46263739
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 156587081
4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
CID 17234719
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(1R,2S,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]propanamide
CID 46996832
N-(2-ethoxyphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160360
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
N-[(2-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330856
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 125168277
N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2991422
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330882
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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride (CID 154895973) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride is COc1ccccc1-c1noc(CCCC(=O)NC[C@@H]2C[C@H](F)CN2)n1.Cl.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
The InChIKey is ZUBAXJXMNDGHFX-QNTKWALQSA-N. The full InChI is InChI=1S/C18H23FN4O3.ClH/c1-25-15-6-3-2-5-14(15)18-22-17(26-23-18)8-4-7-16(24)21-11-13-9-12(19)10-20-13;/h2-3,5-6,12-13,20H,4,7-11H2,1H3,(H,21,24);1H/t12-,13-;/m0./s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride has a molecular weight of 398.87 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride is sourced from PubChem (CID 154895973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).