2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C22H26FN3O4 — CID 53168414

IUPAC2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C22H26FN3O4/c1-15-20(22(28)26-9-11-29-12-10-26)24-21(30-15)17-5-7-25(8-6-17)19(27)14-16-3-2-4-18(23)13-16/h2-4,13,17H,5-12,14H2,1H3
InChIKeyONZLVHPYTJJNFR-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.54
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 53168414) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID53168414
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C22H26FN3O4/c1-15-20(22(28)26-9-11-29-12-10-26)24-21(30-15)17-5-7-25(8-6-17)19(27)14-16-3-2-4-18(23)13-16/h2-4,13,17H,5-12,14H2,1H3
InChIKeyONZLVHPYTJJNFR-UHFFFAOYSA-N
XLogP2.54
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 53168414) is 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is Cc1oc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc1C(=O)N1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ONZLVHPYTJJNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-15-20(22(28)26-9-11-29-12-10-26)24-21(30-15)17-5-7-25(8-6-17)19(27)14-16-3-2-4-18(23)13-16/h2-4,13,17H,5-12,14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 415.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53168414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).