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

C22H26FN3O3 — CID 53168377

IUPAC2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)Cc3ccccc3F)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H26FN3O3/c1-15-20(22(28)26-10-4-5-11-26)24-21(29-15)16-8-12-25(13-9-16)19(27)14-17-6-2-3-7-18(17)23/h2-3,6-7,16H,4-5,8-14H2,1H3
InChIKeyVYARKAJDEYHAKQ-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.31
Rot. Bonds4

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

2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 53168377) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID53168377
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)Cc3ccccc3F)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H26FN3O3/c1-15-20(22(28)26-10-4-5-11-26)24-21(29-15)16-8-12-25(13-9-16)19(27)14-17-6-2-3-7-18(17)23/h2-3,6-7,16H,4-5,8-14H2,1H3
InChIKeyVYARKAJDEYHAKQ-UHFFFAOYSA-N
XLogP3.31
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 53168377) is 2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is Cc1oc(C2CCN(C(=O)Cc3ccccc3F)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is VYARKAJDEYHAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-15-20(22(28)26-10-4-5-11-26)24-21(29-15)16-8-12-25(13-9-16)19(27)14-17-6-2-3-7-18(17)23/h2-3,6-7,16H,4-5,8-14H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 399.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53168377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).