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

C22H28FN3O3 — CID 110111025

IUPAC1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCC1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C22H28FN3O3/c1-22(21-24-14-18(29-21)13-17-5-2-3-6-19(17)23)7-4-8-26(16-22)20(27)15-25-9-11-28-12-10-25/h2-3,5-6,14H,4,7-13,15-16H2,1H3
InChIKeyODSWOSZXGNHFGD-UHFFFAOYSA-N
MW401.48 g/mol
LogP2.62
Rot. Bonds5

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

1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 110111025) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID110111025
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCC1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C22H28FN3O3/c1-22(21-24-14-18(29-21)13-17-5-2-3-6-19(17)23)7-4-8-26(16-22)20(27)15-25-9-11-28-12-10-25/h2-3,5-6,14H,4,7-13,15-16H2,1H3
InChIKeyODSWOSZXGNHFGD-UHFFFAOYSA-N
XLogP2.62
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone (CID 110111025) is 1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone is CC1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)CN2CCOCC2)C1.
What is the InChIKey of 1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is ODSWOSZXGNHFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-22(21-24-14-18(29-21)13-17-5-2-3-6-19(17)23)7-4-8-26(16-22)20(27)15-25-9-11-28-12-10-25/h2-3,5-6,14H,4,7-13,15-16H2,1H3.
What are the key properties of 1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 401.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 110111025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).