[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H17F2N5O2 — CID 22581861

IUPAC[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccc(F)cc2F)c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H17F2N5O2/c1-12-16(17(24-28-12)14-4-3-13(20)11-15(14)21)18(27)25-7-9-26(10-8-25)19-22-5-2-6-23-19/h2-6,11H,7-10H2,1H3
InChIKeyNCIMQWHYTHVFQQ-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.68
Rot. Bonds3

About [3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 22581861) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID22581861
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccc(F)cc2F)c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H17F2N5O2/c1-12-16(17(24-28-12)14-4-3-13(20)11-15(14)21)18(27)25-7-9-26(10-8-25)19-22-5-2-6-23-19/h2-6,11H,7-10H2,1H3
InChIKeyNCIMQWHYTHVFQQ-UHFFFAOYSA-N
XLogP2.68
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 22581861) is [3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1onc(-c2ccc(F)cc2F)c1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NCIMQWHYTHVFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-12-16(17(24-28-12)14-4-3-13(20)11-15(14)21)18(27)25-7-9-26(10-8-25)19-22-5-2-6-23-19/h2-6,11H,7-10H2,1H3.
What are the key properties of [3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 385.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 22581861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).