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

C22H28FN3O3 — CID 72906053

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(c1cnco1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
InChIInChI=1S/C22H28FN3O3/c23-20-6-2-1-4-18(20)14-25-9-7-17(8-10-25)13-26(15-19-5-3-11-28-19)22(27)21-12-24-16-29-21/h1-2,4,6,12,16-17,19H,3,5,7-11,13-15H2
InChIKeyAEQZPVSHWPPXLI-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.35
Rot. Bonds7

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

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide (PubChem CID 72906053) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
PubChem CID72906053
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(c1cnco1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
InChIInChI=1S/C22H28FN3O3/c23-20-6-2-1-4-18(20)14-25-9-7-17(8-10-25)13-26(15-19-5-3-11-28-19)22(27)21-12-24-16-29-21/h1-2,4,6,12,16-17,19H,3,5,7-11,13-15H2
InChIKeyAEQZPVSHWPPXLI-UHFFFAOYSA-N
XLogP3.35
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide (CID 72906053) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide is O=C(c1cnco1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is AEQZPVSHWPPXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3/c23-20-6-2-1-4-18(20)14-25-9-7-17(8-10-25)13-26(15-19-5-3-11-28-19)22(27)21-12-24-16-29-21/h1-2,4,6,12,16-17,19H,3,5,7-11,13-15H2.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 401.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 72906053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).