(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

C16H17N5O2 — CID 126447800

IUPAC(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESC[C@H](C(=O)N(C)Cc1nnc(-c2ccccc2)o1)n1ccnc1
InChIInChI=1S/C16H17N5O2/c1-12(21-9-8-17-11-21)16(22)20(2)10-14-18-19-15(23-14)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1
InChIKeyLUAYSAIKVBKANB-GFCCVEGCSA-N
MW311.35 g/mol
LogP2.15
Rot. Bonds5

About (2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 126447800) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is (2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID126447800
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESC[C@H](C(=O)N(C)Cc1nnc(-c2ccccc2)o1)n1ccnc1
InChIInChI=1S/C16H17N5O2/c1-12(21-9-8-17-11-21)16(22)20(2)10-14-18-19-15(23-14)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1
InChIKeyLUAYSAIKVBKANB-GFCCVEGCSA-N
XLogP2.15
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747
(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 126453961
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
CID 156587003
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide
CID 156584441
N,5,7-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77085010
N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 45193091
formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 154912620
5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 77080553
N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 45352017
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 171907211

Frequently Asked Questions

What is the IUPAC name of (2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 126447800) is (2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is C[C@H](C(=O)N(C)Cc1nnc(-c2ccccc2)o1)n1ccnc1.
What is the InChIKey of (2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is LUAYSAIKVBKANB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-12(21-9-8-17-11-21)16(22)20(2)10-14-18-19-15(23-14)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 311.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 126447800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).