N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide

C19H25N3O3 — CID 167877183

IUPACN-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](Cc2nnc(COCc3ccccc3C)o2)C1
InChIInChI=1S/C19H25N3O3/c1-13-5-3-4-6-16(13)11-24-12-19-22-21-18(25-19)10-15-7-8-17(9-15)20-14(2)23/h3-6,15,17H,7-12H2,1-2H3,(H,20,23)/t15-,17+/m1/s1
InChIKeyIEMYMCGYBGXNRF-WBVHZDCISA-N
MW343.43 g/mol
LogP2.94
Rot. Bonds7

About N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide

N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide (PubChem CID 167877183) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
PubChem CID167877183
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](Cc2nnc(COCc3ccccc3C)o2)C1
InChIInChI=1S/C19H25N3O3/c1-13-5-3-4-6-16(13)11-24-12-19-22-21-18(25-19)10-15-7-8-17(9-15)20-14(2)23/h3-6,15,17H,7-12H2,1-2H3,(H,20,23)/t15-,17+/m1/s1
InChIKeyIEMYMCGYBGXNRF-WBVHZDCISA-N
XLogP2.94
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.94
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-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
CID 167788929
N-[(1S,3R)-3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
CID 167962113
N-[(1S,3R)-3-[[5-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
CID 167799246
N-[3-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139311
1-[(2S,3aR,6aR)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(2-methylphenyl)ethanone
CID 124820270
N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide
CID 50960068
4-[[(2-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5019663
N-(4-aminocyclohexyl)-2-[(2-methylphenyl)methoxy]benzamide;hydrochloride
CID 119478339
N-cyclopropyl-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334118
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
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2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The IUPAC name of N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide (CID 167877183) is N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide.
What is the SMILES notation for N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The canonical SMILES for N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide is CC(=O)N[C@H]1CC[C@@H](Cc2nnc(COCc3ccccc3C)o2)C1.
What is the InChIKey of N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The InChIKey is IEMYMCGYBGXNRF-WBVHZDCISA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-5-3-4-6-16(13)11-24-12-19-22-21-18(25-19)10-15-7-8-17(9-15)20-14(2)23/h3-6,15,17H,7-12H2,1-2H3,(H,20,23)/t15-,17+/m1/s1.
What are the key properties of N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
N-[(1S,3R)-3-[[5-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.94, 7 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-[(2-methylphenyl)methoxymethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide is sourced from PubChem (CID 167877183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).