N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide

C18H21N5O2 — CID 53177999

IUPACN-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cnc(-c3noc(C(C)C)n3)c2)cc1
InChIInChI=1S/C18H21N5O2/c1-12(2)18-21-17(22-25-18)15-9-23(11-20-15)10-16(24)19-8-14-6-4-13(3)5-7-14/h4-7,9,11-12H,8,10H2,1-3H3,(H,19,24)
InChIKeySLZYYSUTGJEXGI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.68
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide

N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (PubChem CID 53177999) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
PubChem CID53177999
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cnc(-c3noc(C(C)C)n3)c2)cc1
InChIInChI=1S/C18H21N5O2/c1-12(2)18-21-17(22-25-18)15-9-23(11-20-15)10-16(24)19-8-14-6-4-13(3)5-7-14/h4-7,9,11-12H,8,10H2,1-3H3,(H,19,24)
InChIKeySLZYYSUTGJEXGI-UHFFFAOYSA-N
XLogP2.68
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177978
2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53178147
N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178002
N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178141
N-[(4-fluorophenyl)methyl]-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177904
N-[(2-fluorophenyl)methyl]-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177970
N-(3-methylphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177955
N-[(4-methylphenyl)methyl]-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
CID 55837613
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 53178126
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 83276946
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (CID 53177999) is N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is Cc1ccc(CNC(=O)Cn2cnc(-c3noc(C(C)C)n3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The InChIKey is SLZYYSUTGJEXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(2)18-21-17(22-25-18)15-9-23(11-20-15)10-16(24)19-8-14-6-4-13(3)5-7-14/h4-7,9,11-12H,8,10H2,1-3H3,(H,19,24).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53177999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).