N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide

C26H25FN4O2 — CID 92576652

IUPACN-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3ccc4ccccc4n3)CC2)no1
InChIInChI=1S/C26H25FN4O2/c27-21-8-5-18(6-9-21)16-28-26(32)25-15-24(30-33-25)20-11-13-31(14-12-20)17-22-10-7-19-3-1-2-4-23(19)29-22/h1-10,15,20H,11-14,16-17H2,(H,28,32)
InChIKeyNAHHAZOWVMXPFD-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.67
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92576652) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID92576652
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3ccc4ccccc4n3)CC2)no1
InChIInChI=1S/C26H25FN4O2/c27-21-8-5-18(6-9-21)16-28-26(32)25-15-24(30-33-25)20-11-13-31(14-12-20)17-22-10-7-19-3-1-2-4-23(19)29-22/h1-10,15,20H,11-14,16-17H2,(H,28,32)
InChIKeyNAHHAZOWVMXPFD-UHFFFAOYSA-N
XLogP4.67
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 92576652) is N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3ccc4ccccc4n3)CC2)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is NAHHAZOWVMXPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c27-21-8-5-18(6-9-21)16-28-26(32)25-15-24(30-33-25)20-11-13-31(14-12-20)17-22-10-7-19-3-1-2-4-23(19)29-22/h1-10,15,20H,11-14,16-17H2,(H,28,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92576652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).