2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

C20H24F3N5O3 — CID 165401408

IUPAC2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(-c2cnc(C(F)(F)F)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1
InChIInChI=1S/C20H24F3N5O3/c1-13-10-16(31-26-13)15-11-24-19(20(21,22)23)25-18(15)14-2-4-27(5-3-14)12-17(29)28-6-8-30-9-7-28/h10-11,14H,2-9,12H2,1H3
InChIKeyGTWUISPULSREAS-UHFFFAOYSA-N
MW439.44 g/mol
LogP2.50
Rot. Bonds4

About 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 165401408) has the molecular formula C20H24F3N5O3 and a molecular weight of 439.44 g/mol. Its IUPAC name is 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID165401408
Molecular FormulaC20H24F3N5O3
Molecular Weight439.44 g/mol
Exact Mass439.18
IUPAC Name2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(-c2cnc(C(F)(F)F)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1
InChIInChI=1S/C20H24F3N5O3/c1-13-10-16(31-26-13)15-11-24-19(20(21,22)23)25-18(15)14-2-4-27(5-3-14)12-17(29)28-6-8-30-9-7-28/h10-11,14H,2-9,12H2,1H3
InChIKeyGTWUISPULSREAS-UHFFFAOYSA-N
XLogP2.50
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
CID 45488393
2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670042
1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 16670129
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952682
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 122186922
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554578
2,2-dimethyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 51584557
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 16669757
1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 46962225
butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate
CID 175805439
tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
CID 110219988
cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 165401408) is 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is Cc1cc(-c2cnc(C(F)(F)F)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1.
What is the InChIKey of 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is GTWUISPULSREAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O3/c1-13-10-16(31-26-13)15-11-24-19(20(21,22)23)25-18(15)14-2-4-27(5-3-14)12-17(29)28-6-8-30-9-7-28/h10-11,14H,2-9,12H2,1H3.
What are the key properties of 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 439.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 165401408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).