2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide

C23H24FN7O2 — CID 138588454

IUPAC2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4coc(C5CCN(CCF)CC5)n4)nc3c2)cn1
InChIInChI=1S/C23H24FN7O2/c1-30-13-18(12-26-30)16-2-3-17-11-25-23(28-19(17)10-16)29-21(32)20-14-33-22(27-20)15-4-7-31(8-5-15)9-6-24/h2-3,10-15H,4-9H2,1H3,(H,25,28,29,32)
InChIKeyLLMOTUYVWVMXOC-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.42
Rot. Bonds6

About 2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide

2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 138588454) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID138588454
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4coc(C5CCN(CCF)CC5)n4)nc3c2)cn1
InChIInChI=1S/C23H24FN7O2/c1-30-13-18(12-26-30)16-2-3-17-11-25-23(28-19(17)10-16)29-21(32)20-14-33-22(27-20)15-4-7-31(8-5-15)9-6-24/h2-3,10-15H,4-9H2,1H3,(H,25,28,29,32)
InChIKeyLLMOTUYVWVMXOC-UHFFFAOYSA-N
XLogP3.42
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide (CID 138588454) is 2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)c4coc(C5CCN(CCF)CC5)n4)nc3c2)cn1.
What is the InChIKey of 2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is LLMOTUYVWVMXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-30-13-18(12-26-30)16-2-3-17-11-25-23(28-19(17)10-16)29-21(32)20-14-33-22(27-20)15-4-7-31(8-5-15)9-6-24/h2-3,10-15H,4-9H2,1H3,(H,25,28,29,32).
What are the key properties of 2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide?
2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138588454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).