2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

C21H24FN5O2S — CID 45211746

IUPAC2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H24FN5O2S/c1-15(20-23-7-12-30-20)25(2)21(28)17-14-29-19(24-17)13-26-8-10-27(11-9-26)18-6-4-3-5-16(18)22/h3-7,12,14-15H,8-11,13H2,1-2H3
InChIKeyLQSKTYWOEBWWGM-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.43
Rot. Bonds6

About 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 45211746) has the molecular formula C21H24FN5O2S and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID45211746
Molecular FormulaC21H24FN5O2S
Molecular Weight429.52 g/mol
Exact Mass429.16
IUPAC Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H24FN5O2S/c1-15(20-23-7-12-30-20)25(2)21(28)17-14-29-19(24-17)13-26-8-10-27(11-9-26)18-6-4-3-5-16(18)22/h3-7,12,14-15H,8-11,13H2,1-2H3
InChIKeyLQSKTYWOEBWWGM-UHFFFAOYSA-N
XLogP3.43
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42194089
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56719764
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 42196030
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 45224350
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 25281930
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 25276442
N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42850775
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-methoxybutan-2-yl)-1,3-oxazole-4-carboxamide
CID 45248042
ethyl 1-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 42850765
N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42851037
N-benzyl-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46043476
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-oxazole-4-carboxamide
CID 25289332

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 45211746) is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide is CC(c1nccs1)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is LQSKTYWOEBWWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2S/c1-15(20-23-7-12-30-20)25(2)21(28)17-14-29-19(24-17)13-26-8-10-27(11-9-26)18-6-4-3-5-16(18)22/h3-7,12,14-15H,8-11,13H2,1-2H3.
What are the key properties of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45211746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).