N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide

C23H27ClFN5O3 — CID 166721869

IUPACN-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC(CCCCCC(=O)c1ccon1)c1nc(-c2ccc(F)cc2)c(Cl)[nH]1
InChIInChI=1S/C23H27ClFN5O3/c1-30(2)14-20(32)26-18(6-4-3-5-7-19(31)17-12-13-33-29-17)23-27-21(22(24)28-23)15-8-10-16(25)11-9-15/h8-13,18H,3-7,14H2,1-2H3,(H,26,32)(H,27,28)
InChIKeyPCWLRHIXCRLWSC-UHFFFAOYSA-N
MW475.95 g/mol
LogP4.41
Rot. Bonds12

About N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide

N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide (PubChem CID 166721869) has the molecular formula C23H27ClFN5O3 and a molecular weight of 475.95 g/mol. Its IUPAC name is N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide
PubChem CID166721869
Molecular FormulaC23H27ClFN5O3
Molecular Weight475.95 g/mol
Exact Mass475.18
IUPAC NameN-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC(CCCCCC(=O)c1ccon1)c1nc(-c2ccc(F)cc2)c(Cl)[nH]1
InChIInChI=1S/C23H27ClFN5O3/c1-30(2)14-20(32)26-18(6-4-3-5-7-19(31)17-12-13-33-29-17)23-27-21(22(24)28-23)15-8-10-16(25)11-9-15/h8-13,18H,3-7,14H2,1-2H3,(H,26,32)(H,27,28)
InChIKeyPCWLRHIXCRLWSC-UHFFFAOYSA-N
XLogP4.41
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7S)-7-amino-7-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;bis(N-[(1S)-1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide)
CID 161386877
2-(dimethylamino)-N-[(1S)-1-[5-(2-ethyl-7-methoxy-1-oxoisoquinolin-6-yl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
CID 146317134
2-(dimethylamino)-N-[1-[5-(2-ethyl-7-methoxy-1-oxoisoquinolin-6-yl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
CID 146317135
4-amino-1-(1,2-oxazol-3-yl)butan-1-one
CID 82416682
(7S)-7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 146317146
N-[(1S)-1-[5-chloro-2-(2-fluorophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide
CID 150383015
N-[1-[4-chloro-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166721887
1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one
CID 166726399
N-[(1S)-1-[4-chloro-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]azetidine-3-carboxamide
CID 146317048
2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]-N-propan-2-ylacetamide
CID 60696268
(2S)-N-[(1S)-1-[4-chloro-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-6-ethyl-6-azaspiro[2.5]octane-2-carboxamide
CID 155924769
tert-butyl 3-[[1-[4-chloro-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]carbamoyl]azetidine-1-carboxylate
CID 166721816

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide (CID 166721869) is N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)NC(CCCCCC(=O)c1ccon1)c1nc(-c2ccc(F)cc2)c(Cl)[nH]1.
What is the InChIKey of N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide?
The InChIKey is PCWLRHIXCRLWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN5O3/c1-30(2)14-20(32)26-18(6-4-3-5-7-19(31)17-12-13-33-29-17)23-27-21(22(24)28-23)15-8-10-16(25)11-9-15/h8-13,18H,3-7,14H2,1-2H3,(H,26,32)(H,27,28).
What are the key properties of N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide?
N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide has a molecular weight of 475.95 g/mol, XLogP of 4.41, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-4-(4-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 166721869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).