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

C15H17N5O2 — CID 31943502

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H17N5O2/c21-14(12-10-13(22-18-12)11-2-3-11)19-6-8-20(9-7-19)15-16-4-1-5-17-15/h1,4-5,10-11H,2-3,6-9H2
InChIKeyBXLVNGSITAPPFC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.30
Rot. Bonds3

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

(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 31943502) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID31943502
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H17N5O2/c21-14(12-10-13(22-18-12)11-2-3-11)19-6-8-20(9-7-19)15-16-4-1-5-17-15/h1,4-5,10-11H,2-3,6-9H2
InChIKeyBXLVNGSITAPPFC-UHFFFAOYSA-N
XLogP1.30
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 31943502) is (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(C2CC2)on1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BXLVNGSITAPPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-14(12-10-13(22-18-12)11-2-3-11)19-6-8-20(9-7-19)15-16-4-1-5-17-15/h1,4-5,10-11H,2-3,6-9H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 299.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 31943502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).