2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

C16H18N4O3 — CID 154865946

IUPAC2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCC(c2ccon2)CC1
InChIInChI=1S/C16H18N4O3/c21-14-9-13(17-15(18-14)11-1-2-11)16(22)20-6-3-10(4-7-20)12-5-8-23-19-12/h5,8-11H,1-4,6-7H2,(H,17,18,21)
InChIKeyIXWHHULZAOBDAG-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.66
Rot. Bonds3

About 2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 154865946) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID154865946
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCC(c2ccon2)CC1
InChIInChI=1S/C16H18N4O3/c21-14-9-13(17-15(18-14)11-1-2-11)16(22)20-6-3-10(4-7-20)12-5-8-23-19-12/h5,8-11H,1-4,6-7H2,(H,17,18,21)
InChIKeyIXWHHULZAOBDAG-UHFFFAOYSA-N
XLogP1.66
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 154865946) is 2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCC(c2ccon2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is IXWHHULZAOBDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-14-9-13(17-15(18-14)11-1-2-11)16(22)20-6-3-10(4-7-20)12-5-8-23-19-12/h5,8-11H,1-4,6-7H2,(H,17,18,21).
What are the key properties of 2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 314.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154865946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).