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

C24H35FN4O2 — CID 24719345

IUPACN-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C(C)C
InChIInChI=1S/C24H35FN4O2/c1-17(2)10-11-29(23(30)18(3)4)16-21-22(19-6-8-20(25)9-7-19)26-31-24(21)28-14-12-27(5)13-15-28/h6-9,17-18H,10-16H2,1-5H3
InChIKeyFRWCWSIYSIKJBF-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.26
Rot. Bonds8

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

N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide (PubChem CID 24719345) has the molecular formula C24H35FN4O2 and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide
PubChem CID24719345
Molecular FormulaC24H35FN4O2
Molecular Weight430.57 g/mol
Exact Mass430.27
IUPAC NameN-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C(C)C
InChIInChI=1S/C24H35FN4O2/c1-17(2)10-11-29(23(30)18(3)4)16-21-22(19-6-8-20(25)9-7-19)26-31-24(21)28-14-12-27(5)13-15-28/h6-9,17-18H,10-16H2,1-5H3
InChIKeyFRWCWSIYSIKJBF-UHFFFAOYSA-N
XLogP4.26
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 46027748
2-fluoro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 24719352
3-ethyl-1-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-1-(2-methylpropyl)urea
CID 24719798
N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 24719750
N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 46023595
N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46027677
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopropanecarboxamide
CID 93222239
3-methoxy-N-(3-methylbutyl)-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 42843865
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-benzyl-2-fluoro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]benzamide
CID 46027692
N-butan-2-yl-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
CID 46027710
2-fluoro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46027679

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide (CID 24719345) is N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide is CC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C(C)C.
What is the InChIKey of N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide?
The InChIKey is FRWCWSIYSIKJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O2/c1-17(2)10-11-29(23(30)18(3)4)16-21-22(19-6-8-20(25)9-7-19)26-31-24(21)28-14-12-27(5)13-15-28/h6-9,17-18H,10-16H2,1-5H3.
What are the key properties of N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide?
N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide has a molecular weight of 430.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 24719345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).