(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide

C13H19N5O3 — CID 126427659

IUPAC(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCOCCc1noc(CNC(=O)[C@H](C)n2ccnc2C)n1
InChIInChI=1S/C13H19N5O3/c1-9(18-6-5-14-10(18)2)13(19)15-8-12-16-11(17-21-12)4-7-20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,19)/t9-/m0/s1
InChIKeyOXAFWORHUWLZKU-VIFPVBQESA-N
MW293.33 g/mol
LogP0.64
Rot. Bonds7

About (2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide

(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 126427659) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is (2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
PubChem CID126427659
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCOCCc1noc(CNC(=O)[C@H](C)n2ccnc2C)n1
InChIInChI=1S/C13H19N5O3/c1-9(18-6-5-14-10(18)2)13(19)15-8-12-16-11(17-21-12)4-7-20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,19)/t9-/m0/s1
InChIKeyOXAFWORHUWLZKU-VIFPVBQESA-N
XLogP0.64
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 91783732
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 122556515
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119063062
(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 125440172
1-(2,6-dimethoxy-3-pyridinyl)-3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 72863828
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 56750539
2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 122569344
(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 95226094
2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 131925368
N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119069534
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 154820587

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide (CID 126427659) is (2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide is COCCc1noc(CNC(=O)[C@H](C)n2ccnc2C)n1.
What is the InChIKey of (2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is OXAFWORHUWLZKU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N5O3/c1-9(18-6-5-14-10(18)2)13(19)15-8-12-16-11(17-21-12)4-7-20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,19)/t9-/m0/s1.
What are the key properties of (2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 293.33 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 126427659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).