(2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide

C17H21N3O3 — CID 95630267

IUPAC(2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide
SMILESCc1nc(CNC(=O)[C@@H](OC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C17H21N3O3/c1-12-19-15(20-23-12)11-18-17(21)16(13-7-3-2-4-8-13)22-14-9-5-6-10-14/h2-4,7-8,14,16H,5-6,9-11H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyRJTSMGNCFXSYLD-INIZCTEOSA-N
MW315.37 g/mol
LogP2.69
Rot. Bonds6

About (2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide

(2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide (PubChem CID 95630267) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide
PubChem CID95630267
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide
SMILESCc1nc(CNC(=O)[C@@H](OC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C17H21N3O3/c1-12-19-15(20-23-12)11-18-17(21)16(13-7-3-2-4-8-13)22-14-9-5-6-10-14/h2-4,7-8,14,16H,5-6,9-11H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyRJTSMGNCFXSYLD-INIZCTEOSA-N
XLogP2.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 97226046
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide
CID 95601592
2-cyclopentyloxy-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 111332884
(2R)-2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 95284676
(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
CID 106416224
1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507731
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide (CID 95630267) is (2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide is Cc1nc(CNC(=O)[C@@H](OC2CCCC2)c2ccccc2)no1.
What is the InChIKey of (2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide?
The InChIKey is RJTSMGNCFXSYLD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-19-15(20-23-12)11-18-17(21)16(13-7-3-2-4-8-13)22-14-9-5-6-10-14/h2-4,7-8,14,16H,5-6,9-11H2,1H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide?
(2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide has a molecular weight of 315.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 95630267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).