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

C22H24FN5O2 — CID 42465733

IUPAC2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccncc1)c1coc(CN2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C22H24FN5O2/c23-18-3-1-2-4-20(18)28-13-11-27(12-14-28)15-21-26-19(16-30-21)22(29)25-10-7-17-5-8-24-9-6-17/h1-6,8-9,16H,7,10-15H2,(H,25,29)
InChIKeyXUKLKNGKHTXDIF-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.50
Rot. Bonds7

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

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42465733) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID42465733
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccncc1)c1coc(CN2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C22H24FN5O2/c23-18-3-1-2-4-20(18)28-13-11-27(12-14-28)15-21-26-19(16-30-21)22(29)25-10-7-17-5-8-24-9-6-17/h1-6,8-9,16H,7,10-15H2,(H,25,29)
InChIKeyXUKLKNGKHTXDIF-UHFFFAOYSA-N
XLogP2.50
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide (CID 42465733) is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide is O=C(NCCc1ccncc1)c1coc(CN2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XUKLKNGKHTXDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-18-3-1-2-4-20(18)28-13-11-27(12-14-28)15-21-26-19(16-30-21)22(29)25-10-7-17-5-8-24-9-6-17/h1-6,8-9,16H,7,10-15H2,(H,25,29).
What are the key properties of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42465733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).