(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

C16H22N4O2 — CID 131948105

IUPAC(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCC(C)C1=NOC(C(=O)N2CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C16H22N4O2/c1-12(2)14-11-15(22-18-14)16(21)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyUJAIZTZYOBCEAM-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.53
Rot. Bonds3

About (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 131948105) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID131948105
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCC(C)C1=NOC(C(=O)N2CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C16H22N4O2/c1-12(2)14-11-15(22-18-14)16(21)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyUJAIZTZYOBCEAM-UHFFFAOYSA-N
XLogP1.53
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 131948105) is (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is CC(C)C1=NOC(C(=O)N2CCN(c3ccncc3)CC2)C1.
What is the InChIKey of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is UJAIZTZYOBCEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(2)14-11-15(22-18-14)16(21)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 131948105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).