(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H19N5O2 — CID 71511236

IUPAC(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C19H19N5O2/c1-14-22-16(15-6-3-2-4-7-15)17(26-14)18(25)23-10-12-24(13-11-23)19-20-8-5-9-21-19/h2-9H,10-13H2,1H3
InChIKeyIEZVKCKRXKEQJJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.40
Rot. Bonds3

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

(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 71511236) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID71511236
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C19H19N5O2/c1-14-22-16(15-6-3-2-4-7-15)17(26-14)18(25)23-10-12-24(13-11-23)19-20-8-5-9-21-19/h2-9H,10-13H2,1H3
InChIKeyIEZVKCKRXKEQJJ-UHFFFAOYSA-N
XLogP2.40
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 71511236) is (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ncccn3)CC2)o1.
What is the InChIKey of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IEZVKCKRXKEQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-14-22-16(15-6-3-2-4-7-15)17(26-14)18(25)23-10-12-24(13-11-23)19-20-8-5-9-21-19/h2-9H,10-13H2,1H3.
What are the key properties of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 349.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 71511236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).