(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

C21H21FN4O3 — CID 110256539

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3nccnc3Oc3ccc(F)cc3)C2)o1
InChIInChI=1S/C21H21FN4O3/c1-13-19(28-14(2)25-13)21(27)26-11-3-4-15(12-26)18-20(24-10-9-23-18)29-17-7-5-16(22)6-8-17/h5-10,15H,3-4,11-12H2,1-2H3
InChIKeyUNSXDJOWSNYOAZ-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.03
Rot. Bonds4

About (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 110256539) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID110256539
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3nccnc3Oc3ccc(F)cc3)C2)o1
InChIInChI=1S/C21H21FN4O3/c1-13-19(28-14(2)25-13)21(27)26-11-3-4-15(12-26)18-20(24-10-9-23-18)29-17-7-5-16(22)6-8-17/h5-10,15H,3-4,11-12H2,1-2H3
InChIKeyUNSXDJOWSNYOAZ-UHFFFAOYSA-N
XLogP4.03
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 46231662
N-{[2-(3,4-Difluorophenoxy)pyridin-3-YL]methyl}-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 56755717
1-[3-[3-(3-Fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 110256753
N-[4-(2-fluorophenoxy)phenyl]-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-2-piperidinecarboxamide
CID 45169175
N-{[2-(2,4-Difluorophenoxy)pyridin-3-YL]methyl}-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 56739433
[5-(4-Fluorophenyl)-4-pyridin-3-yl-1,3-oxazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 23110139
(6-fluoro-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 56941638
(4-Cyclobutylpiperazin-1-yl)-[5-(4-fluorophenoxy)pyrazin-2-yl]methanone
CID 57698418
(4-Cyclobutylpiperazin-1-yl)-[5-(3-fluorophenoxy)pyrazin-2-yl]methanone
CID 57698424
(6-Methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 58270712
(2-Methyl-3-pyridinyl) 4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 58270737
(2-Methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 58270810

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 110256539) is (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC(c3nccnc3Oc3ccc(F)cc3)C2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is UNSXDJOWSNYOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-13-19(28-14(2)25-13)21(27)26-11-3-4-15(12-26)18-20(24-10-9-23-18)29-17-7-5-16(22)6-8-17/h5-10,15H,3-4,11-12H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 396.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110256539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).