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

C17H18ClN5O3 — CID 53178001

IUPACN-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc(-c3noc(C(C)C)n3)c2)cc1Cl
InChIInChI=1S/C17H18ClN5O3/c1-10(2)17-21-16(22-26-17)13-7-23(9-19-13)8-15(24)20-11-4-5-14(25-3)12(18)6-11/h4-7,9-10H,8H2,1-3H3,(H,20,24)
InChIKeyNDBDXCGCECFJCV-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.36
Rot. Bonds6

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

N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (PubChem CID 53178001) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
PubChem CID53178001
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc(-c3noc(C(C)C)n3)c2)cc1Cl
InChIInChI=1S/C17H18ClN5O3/c1-10(2)17-21-16(22-26-17)13-7-23(9-19-13)8-15(24)20-11-4-5-14(25-3)12(18)6-11/h4-7,9-10H,8H2,1-3H3,(H,20,24)
InChIKeyNDBDXCGCECFJCV-UHFFFAOYSA-N
XLogP3.36
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178002
N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177999
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256
N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521514
N-(3-chloro-4-methoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9083038
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2391050
N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 20912672
2-[5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 53209729
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (CID 53178001) is N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2cnc(-c3noc(C(C)C)n3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The InChIKey is NDBDXCGCECFJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c1-10(2)17-21-16(22-26-17)13-7-23(9-19-13)8-15(24)20-11-4-5-14(25-3)12(18)6-11/h4-7,9-10H,8H2,1-3H3,(H,20,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide has a molecular weight of 375.82 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).