(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone

C22H29FN4O2 — CID 24816995

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C22H29FN4O2/c1-3-19-21(16(2)29-24-19)22(28)27-10-6-7-17(15-27)25-11-13-26(14-12-25)20-9-5-4-8-18(20)23/h4-5,8-9,17H,3,6-7,10-15H2,1-2H3
InChIKeyRQXQFRJRQCAQEQ-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.11
Rot. Bonds4

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24816995) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24816995
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C22H29FN4O2/c1-3-19-21(16(2)29-24-19)22(28)27-10-6-7-17(15-27)25-11-13-26(14-12-25)20-9-5-4-8-18(20)23/h4-5,8-9,17H,3,6-7,10-15H2,1-2H3
InChIKeyRQXQFRJRQCAQEQ-UHFFFAOYSA-N
XLogP3.11
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24816995) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is RQXQFRJRQCAQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-3-19-21(16(2)29-24-19)22(28)27-10-6-7-17(15-27)25-11-13-26(14-12-25)20-9-5-4-8-18(20)23/h4-5,8-9,17H,3,6-7,10-15H2,1-2H3.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 400.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24816995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).