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

C18H23N3O2 — CID 125444165

IUPAC(2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
SMILESCCc1nnc(CNC(=O)[C@H](c2ccccc2)C2CCCC2)o1
InChIInChI=1S/C18H23N3O2/c1-2-15-20-21-16(23-15)12-19-18(22)17(14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14,17H,2,6-7,10-12H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyTXOZTBNUWPNNBK-QGZVFWFLSA-N
MW313.40 g/mol
LogP3.22
Rot. Bonds6

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

(2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide (PubChem CID 125444165) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
PubChem CID125444165
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
SMILESCCc1nnc(CNC(=O)[C@H](c2ccccc2)C2CCCC2)o1
InChIInChI=1S/C18H23N3O2/c1-2-15-20-21-16(23-15)12-19-18(22)17(14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14,17H,2,6-7,10-12H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyTXOZTBNUWPNNBK-QGZVFWFLSA-N
XLogP3.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 122567382
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
(2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 125171519
2-cyclopentyl-2-phenyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 91794763
(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 26344967
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110260
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 91773590
(2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 125435454
2-cyclopropyl-2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110606946
N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide
CID 118755607

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide (CID 125444165) is (2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide is CCc1nnc(CNC(=O)[C@H](c2ccccc2)C2CCCC2)o1.
What is the InChIKey of (2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The InChIKey is TXOZTBNUWPNNBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-15-20-21-16(23-15)12-19-18(22)17(14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14,17H,2,6-7,10-12H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
(2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide has a molecular weight of 313.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 125444165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).