[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone

C22H27FN2O3 — CID 110099355

IUPAC[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone
SMILESCC1(c2ncc(Cc3ccccc3F)o2)CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C22H27FN2O3/c1-22(8-10-25(11-9-22)20(26)16-6-12-27-13-7-16)21-24-15-18(28-21)14-17-4-2-3-5-19(17)23/h2-5,15-16H,6-14H2,1H3
InChIKeyVYDUSXRSIYUSON-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.71
Rot. Bonds4

About [4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone

[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 110099355) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is [4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID110099355
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone
SMILESCC1(c2ncc(Cc3ccccc3F)o2)CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C22H27FN2O3/c1-22(8-10-25(11-9-22)20(26)16-6-12-27-13-7-16)21-24-15-18(28-21)14-17-4-2-3-5-19(17)23/h2-5,15-16H,6-14H2,1H3
InChIKeyVYDUSXRSIYUSON-UHFFFAOYSA-N
XLogP3.71
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone (CID 110099355) is [4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone is CC1(c2ncc(Cc3ccccc3F)o2)CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of [4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is VYDUSXRSIYUSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-22(8-10-25(11-9-22)20(26)16-6-12-27-13-7-16)21-24-15-18(28-21)14-17-4-2-3-5-19(17)23/h2-5,15-16H,6-14H2,1H3.
What are the key properties of [4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone?
[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 386.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 110099355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).