2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one

C21H30N4O2 — CID 92554339

IUPAC2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cc(-c2cnc(C3CCN(C(=O)C(C)(C)C)CC3)nc2C(C)C)on1
InChIInChI=1S/C21H30N4O2/c1-13(2)18-16(17-11-14(3)24-27-17)12-22-19(23-18)15-7-9-25(10-8-15)20(26)21(4,5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyKWXFFPRZARBHMX-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.32
Rot. Bonds3

About 2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 92554339) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID92554339
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cc(-c2cnc(C3CCN(C(=O)C(C)(C)C)CC3)nc2C(C)C)on1
InChIInChI=1S/C21H30N4O2/c1-13(2)18-16(17-11-14(3)24-27-17)12-22-19(23-18)15-7-9-25(10-8-15)20(26)21(4,5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyKWXFFPRZARBHMX-UHFFFAOYSA-N
XLogP4.32
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one (CID 92554339) is 2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one is Cc1cc(-c2cnc(C3CCN(C(=O)C(C)(C)C)CC3)nc2C(C)C)on1.
What is the InChIKey of 2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is KWXFFPRZARBHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-13(2)18-16(17-11-14(3)24-27-17)12-22-19(23-18)15-7-9-25(10-8-15)20(26)21(4,5)6/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 370.50 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92554339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).