1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

C19H25N5O2 — CID 46960162

IUPAC1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(N3CCCC3)ncc2-c2cc(C)no2)CC1
InChIInChI=1S/C19H25N5O2/c1-13-11-17(26-22-13)16-12-20-19(24-7-3-4-8-24)21-18(16)15-5-9-23(10-6-15)14(2)25/h11-12,15H,3-10H2,1-2H3
InChIKeyDDHQVPMYLMXLIJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.77
Rot. Bonds3

About 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 46960162) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID46960162
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(N3CCCC3)ncc2-c2cc(C)no2)CC1
InChIInChI=1S/C19H25N5O2/c1-13-11-17(26-22-13)16-12-20-19(24-7-3-4-8-24)21-18(16)15-5-9-23(10-6-15)14(2)25/h11-12,15H,3-10H2,1-2H3
InChIKeyDDHQVPMYLMXLIJ-UHFFFAOYSA-N
XLogP2.77
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (CID 46960162) is 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(N3CCCC3)ncc2-c2cc(C)no2)CC1.
What is the InChIKey of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is DDHQVPMYLMXLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-11-17(26-22-13)16-12-20-19(24-7-3-4-8-24)21-18(16)15-5-9-23(10-6-15)14(2)25/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 46960162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).