2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

C20H27N5O4 — CID 24792939

IUPAC2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(OCc2cc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)no2)cn1
InChIInChI=1S/C20H27N5O4/c1-14(2)22-19(26)12-24-6-8-25(9-7-24)20(27)18-10-17(29-23-18)13-28-16-5-4-15(3)21-11-16/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,22,26)
InChIKeyVYNJBILYCJQZKY-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.24
Rot. Bonds7

About 2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 24792939) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID24792939
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(OCc2cc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)no2)cn1
InChIInChI=1S/C20H27N5O4/c1-14(2)22-19(26)12-24-6-8-25(9-7-24)20(27)18-10-17(29-23-18)13-28-16-5-4-15(3)21-11-16/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,22,26)
InChIKeyVYNJBILYCJQZKY-UHFFFAOYSA-N
XLogP1.24
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 24792939) is 2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1ccc(OCc2cc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)no2)cn1.
What is the InChIKey of 2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is VYNJBILYCJQZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-14(2)22-19(26)12-24-6-8-25(9-7-24)20(27)18-10-17(29-23-18)13-28-16-5-4-15(3)21-11-16/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,22,26).
What are the key properties of 2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 401.47 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 24792939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).