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

C12H17N5O2 — CID 126453961

IUPAC(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide
SMILESCCc1nc(CN(C)C(=O)[C@H](C)n2ccnc2)no1
InChIInChI=1S/C12H17N5O2/c1-4-11-14-10(15-19-11)7-16(3)12(18)9(2)17-6-5-13-8-17/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1
InChIKeyBFOGBDBXOBCDIO-VIFPVBQESA-N
MW263.30 g/mol
LogP1.05
Rot. Bonds5

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

(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide (PubChem CID 126453961) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide
PubChem CID126453961
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide
SMILESCCc1nc(CN(C)C(=O)[C@H](C)n2ccnc2)no1
InChIInChI=1S/C12H17N5O2/c1-4-11-14-10(15-19-11)7-16(3)12(18)9(2)17-6-5-13-8-17/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1
InChIKeyBFOGBDBXOBCDIO-VIFPVBQESA-N
XLogP1.05
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide with MolForge

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Related Compounds

(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 126447800
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 42961250
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747
2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 119066171
N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide
CID 119072009
(2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide
CID 95617382
(2R)-2-imidazol-1-yl-N-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide
CID 51591899
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 71908460
(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 94456522
2-imidazol-1-ylpropanoic acid
CID 16788764
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 72845145
1-cyclopropyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172655430

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide?
The IUPAC name of (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide (CID 126453961) is (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide.
What is the SMILES notation for (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide?
The canonical SMILES for (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide is CCc1nc(CN(C)C(=O)[C@H](C)n2ccnc2)no1.
What is the InChIKey of (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide?
The InChIKey is BFOGBDBXOBCDIO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-11-14-10(15-19-11)7-16(3)12(18)9(2)17-6-5-13-8-17/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide?
(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide has a molecular weight of 263.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide is sourced from PubChem (CID 126453961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).