(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

C21H21FN4O3 — CID 110256543

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3cncc(Oc4cccc(F)c4)n3)C2)o1
InChIInChI=1S/C21H21FN4O3/c1-13-20(28-14(2)24-13)21(27)26-8-4-5-15(12-26)18-10-23-11-19(25-18)29-17-7-3-6-16(22)9-17/h3,6-7,9-11,15H,4-5,8,12H2,1-2H3
InChIKeyHJVVPUJZWLXEJW-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.03
Rot. Bonds4

About (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 110256543) 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-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID110256543
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3cncc(Oc4cccc(F)c4)n3)C2)o1
InChIInChI=1S/C21H21FN4O3/c1-13-20(28-14(2)24-13)21(27)26-8-4-5-15(12-26)18-10-23-11-19(25-18)29-17-7-3-6-16(22)9-17/h3,6-7,9-11,15H,4-5,8,12H2,1-2H3
InChIKeyHJVVPUJZWLXEJW-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-[6-(3-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
[2-[(5-Ethylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 118743967
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-Cyclopropylpiperazin-1-yl)-[5-(4-fluorophenoxy)pyrazin-2-yl]methanone
CID 57698415
(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
(5-fluoro-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66613407
(5-fluoro-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66613493
(3-fluoro-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66634326

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 110256543) is (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC(c3cncc(Oc4cccc(F)c4)n3)C2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is HJVVPUJZWLXEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-13-20(28-14(2)24-13)21(27)26-8-4-5-15(12-26)18-10-23-11-19(25-18)29-17-7-3-6-16(22)9-17/h3,6-7,9-11,15H,4-5,8,12H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[6-(3-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-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110256543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).