N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide

C23H30ClFN4O2 — CID 175603533

IUPACN-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
SMILESCC1CN(CCC2CCC(NC(=O)c3ncco3)CC2)CCN1c1cccc(F)c1Cl
InChIInChI=1S/C23H30ClFN4O2/c1-16-15-28(12-13-29(16)20-4-2-3-19(25)21(20)24)11-9-17-5-7-18(8-6-17)27-22(30)23-26-10-14-31-23/h2-4,10,14,16-18H,5-9,11-13,15H2,1H3,(H,27,30)
InChIKeyDZBIUAMERUMLBR-UHFFFAOYSA-N
MW448.97 g/mol
LogP4.36
Rot. Bonds6

About N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide

N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide (PubChem CID 175603533) has the molecular formula C23H30ClFN4O2 and a molecular weight of 448.97 g/mol. Its IUPAC name is N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
PubChem CID175603533
Molecular FormulaC23H30ClFN4O2
Molecular Weight448.97 g/mol
Exact Mass448.20
IUPAC NameN-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
SMILESCC1CN(CCC2CCC(NC(=O)c3ncco3)CC2)CCN1c1cccc(F)c1Cl
InChIInChI=1S/C23H30ClFN4O2/c1-16-15-28(12-13-29(16)20-4-2-3-19(25)21(20)24)11-9-17-5-7-18(8-6-17)27-22(30)23-26-10-14-31-23/h2-4,10,14,16-18H,5-9,11-13,15H2,1H3,(H,27,30)
InChIKeyDZBIUAMERUMLBR-UHFFFAOYSA-N
XLogP4.36
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.97
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[4-(1,3-oxazol-2-yl)piperidin-1-yl]acetamide
CID 136563183
N-[4-[4-[(4-chlorophenyl)-(1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide
CID 68932682
N-[4-[2-[(3R)-4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
CID 156704296
Obuprazine
CID 156316465
(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-3-methyl-1-(1,3-oxazol-2-yl)butyl]piperidine-3-carboxamide
CID 72164592
1,3-Oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine
CID 161071740
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N-(3-chlorophenyl)-1,3-oxazole-2-carboxamide
CID 70140626
N-[[4-[3-amino-2-chloro-4-(methylamino)phenyl]phenyl]methyl]-1,3-oxazole-2-carboxamide
CID 144469704
N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide
CID 156341013
N-[3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide
CID 156341111
N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
CID 156704134
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-2-carboxamide
CID 156704235

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide (CID 175603533) is N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide is CC1CN(CCC2CCC(NC(=O)c3ncco3)CC2)CCN1c1cccc(F)c1Cl.
What is the InChIKey of N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide?
The InChIKey is DZBIUAMERUMLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClFN4O2/c1-16-15-28(12-13-29(16)20-4-2-3-19(25)21(20)24)11-9-17-5-7-18(8-6-17)27-22(30)23-26-10-14-31-23/h2-4,10,14,16-18H,5-9,11-13,15H2,1H3,(H,27,30).
What are the key properties of N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide?
N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide has a molecular weight of 448.97 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 175603533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).