2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole

C16H22N4O2 — CID 77094556

IUPAC2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole
SMILESCC(C)c1nc(CN2CCC(Oc3ncccn3)CC2)co1
InChIInChI=1S/C16H22N4O2/c1-12(2)15-19-13(11-21-15)10-20-8-4-14(5-9-20)22-16-17-6-3-7-18-16/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3
InChIKeyQQTIPHLNGHUCPA-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.63
Rot. Bonds5

About 2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole

2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole (PubChem CID 77094556) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole
PubChem CID77094556
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole
SMILESCC(C)c1nc(CN2CCC(Oc3ncccn3)CC2)co1
InChIInChI=1S/C16H22N4O2/c1-12(2)15-19-13(11-21-15)10-20-8-4-14(5-9-20)22-16-17-6-3-7-18-16/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3
InChIKeyQQTIPHLNGHUCPA-UHFFFAOYSA-N
XLogP2.63
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole (CID 77094556) is 2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole is CC(C)c1nc(CN2CCC(Oc3ncccn3)CC2)co1.
What is the InChIKey of 2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is QQTIPHLNGHUCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(2)15-19-13(11-21-15)10-20-8-4-14(5-9-20)22-16-17-6-3-7-18-16/h3,6-7,11-12,14H,4-5,8-10H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole?
2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 302.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 77094556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).