N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide

C19H22FN3O3 — CID 167799246

IUPACN-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
SMILESCOc1cc(/C=C/c2nnc(C[C@@H]3CC[C@H](NC(C)=O)C3)o2)ccc1F
InChIInChI=1S/C19H22FN3O3/c1-12(24)21-15-6-3-14(9-15)11-19-23-22-18(26-19)8-5-13-4-7-16(20)17(10-13)25-2/h4-5,7-8,10,14-15H,3,6,9,11H2,1-2H3,(H,21,24)/b8-5+/t14-,15+/m1/s1
InChIKeyXPAHQFAGOGZPMJ-ZRJDUIELSA-N
MW359.40 g/mol
LogP3.23
Rot. Bonds6

About N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide

N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide (PubChem CID 167799246) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
PubChem CID167799246
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
SMILESCOc1cc(/C=C/c2nnc(C[C@@H]3CC[C@H](NC(C)=O)C3)o2)ccc1F
InChIInChI=1S/C19H22FN3O3/c1-12(24)21-15-6-3-14(9-15)11-19-23-22-18(26-19)8-5-13-4-7-16(20)17(10-13)25-2/h4-5,7-8,10,14-15H,3,6,9,11H2,1-2H3,(H,21,24)/b8-5+/t14-,15+/m1/s1
InChIKeyXPAHQFAGOGZPMJ-ZRJDUIELSA-N
XLogP3.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
CID 167964629
N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
CID 167877183
N-[(1S,3R)-3-[[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
CID 167788929
6-[(Z)-N'-[(3-acetamidocyclopentyl)methyl-aminoamino]carbamimidoyl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 143754057
1-[(2R,4S)-2-[5-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]-4-methoxypyrrolidin-1-yl]ethanone
CID 128968084
N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 78911756
(E)-3-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81284351
3-(4-fluoro-3-methoxyphenyl)-2-methylprop-2-enoic acid
CID 123625955
S-[3-(4-fluoro-3-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457081
1-(4-fluoro-3-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553866
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
sodium 2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenolate
CID 67752639

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The IUPAC name of N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide (CID 167799246) is N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide.
What is the SMILES notation for N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The canonical SMILES for N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide is COc1cc(/C=C/c2nnc(C[C@@H]3CC[C@H](NC(C)=O)C3)o2)ccc1F.
What is the InChIKey of N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The InChIKey is XPAHQFAGOGZPMJ-ZRJDUIELSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12(24)21-15-6-3-14(9-15)11-19-23-22-18(26-19)8-5-13-4-7-16(20)17(10-13)25-2/h4-5,7-8,10,14-15H,3,6,9,11H2,1-2H3,(H,21,24)/b8-5+/t14-,15+/m1/s1.
What are the key properties of N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide has a molecular weight of 359.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide is sourced from PubChem (CID 167799246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).