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

C20H25N3O3 — CID 167964629

IUPACN-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
SMILESCOc1ccccc1/C(C)=C/c1nnc(C[C@@H]2CC[C@H](NC(C)=O)C2)o1
InChIInChI=1S/C20H25N3O3/c1-13(17-6-4-5-7-18(17)25-3)10-19-22-23-20(26-19)12-15-8-9-16(11-15)21-14(2)24/h4-7,10,15-16H,8-9,11-12H2,1-3H3,(H,21,24)/b13-10+/t15-,16+/m1/s1
InChIKeyLASAVIVEGLGSNY-FCEHDVOZSA-N
MW355.44 g/mol
LogP3.49
Rot. Bonds6

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

N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide (PubChem CID 167964629) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
PubChem CID167964629
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
SMILESCOc1ccccc1/C(C)=C/c1nnc(C[C@@H]2CC[C@H](NC(C)=O)C2)o1
InChIInChI=1S/C20H25N3O3/c1-13(17-6-4-5-7-18(17)25-3)10-19-22-23-20(26-19)12-15-8-9-16(11-15)21-14(2)24/h4-7,10,15-16H,8-9,11-12H2,1-3H3,(H,21,24)/b13-10+/t15-,16+/m1/s1
InChIKeyLASAVIVEGLGSNY-FCEHDVOZSA-N
XLogP3.49
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,3R)-3-[[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide
CID 167788929
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CID 5173361
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-2-methoxybenzamide
CID 124892081
N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide
CID 102475457
3-(2-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]but-2-en-1-one
CID 126789942
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The IUPAC name of N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide (CID 167964629) is N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide.
What is the SMILES notation for N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The canonical SMILES for N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide is COc1ccccc1/C(C)=C/c1nnc(C[C@@H]2CC[C@H](NC(C)=O)C2)o1.
What is the InChIKey of N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
The InChIKey is LASAVIVEGLGSNY-FCEHDVOZSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(17-6-4-5-7-18(17)25-3)10-19-22-23-20(26-19)12-15-8-9-16(11-15)21-14(2)24/h4-7,10,15-16H,8-9,11-12H2,1-3H3,(H,21,24)/b13-10+/t15-,16+/m1/s1.
What are the key properties of N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide?
N-[(1S,3R)-3-[[5-[(E)-2-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.49, 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-(2-methoxyphenyl)prop-1-enyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetamide is sourced from PubChem (CID 167964629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).