N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide

C25H35FN4O2 — CID 46027710

IUPACN-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
SMILESCCC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C1CCCC1
InChIInChI=1S/C25H35FN4O2/c1-4-18(2)30(24(31)20-7-5-6-8-20)17-22-23(19-9-11-21(26)12-10-19)27-32-25(22)29-15-13-28(3)14-16-29/h9-12,18,20H,4-8,13-17H2,1-3H3
InChIKeyYYYQTMKBTMZLOZ-UHFFFAOYSA-N
MW442.58 g/mol
LogP4.55
Rot. Bonds7

About N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide

N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 46027710) has the molecular formula C25H35FN4O2 and a molecular weight of 442.58 g/mol. Its IUPAC name is N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
PubChem CID46027710
Molecular FormulaC25H35FN4O2
Molecular Weight442.58 g/mol
Exact Mass442.27
IUPAC NameN-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
SMILESCCC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C1CCCC1
InChIInChI=1S/C25H35FN4O2/c1-4-18(2)30(24(31)20-7-5-6-8-20)17-22-23(19-9-11-21(26)12-10-19)27-32-25(22)29-15-13-28(3)14-16-29/h9-12,18,20H,4-8,13-17H2,1-3H3
InChIKeyYYYQTMKBTMZLOZ-UHFFFAOYSA-N
XLogP4.55
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide
CID 93222239
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyacetamide
CID 93222250
N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
CID 24719325
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 93207761
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93207768
3-ethyl-1-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-1-(2-methylpropyl)urea
CID 24719798
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93207767
4-fluoro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 46027748
N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide
CID 24719345
N-cyclopropyl-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide
CID 46023543
4-chloro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93222275
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 46023506

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide (CID 46027710) is N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide is CCC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C1CCCC1.
What is the InChIKey of N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide?
The InChIKey is YYYQTMKBTMZLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN4O2/c1-4-18(2)30(24(31)20-7-5-6-8-20)17-22-23(19-9-11-21(26)12-10-19)27-32-25(22)29-15-13-28(3)14-16-29/h9-12,18,20H,4-8,13-17H2,1-3H3.
What are the key properties of N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide?
N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide has a molecular weight of 442.58 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 46027710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).