2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

C21H29N5O3 — CID 165401423

IUPAC2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C21H29N5O3/c1-3-19-22-13-17(18-12-15(2)24-29-18)21(23-19)16-4-6-25(7-5-16)14-20(27)26-8-10-28-11-9-26/h12-13,16H,3-11,14H2,1-2H3
InChIKeyHPBOMWKBZHYYGE-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.04
Rot. Bonds5

About 2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 165401423) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID165401423
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C21H29N5O3/c1-3-19-22-13-17(18-12-15(2)24-29-18)21(23-19)16-4-6-25(7-5-16)14-20(27)26-8-10-28-11-9-26/h12-13,16H,3-11,14H2,1-2H3
InChIKeyHPBOMWKBZHYYGE-UHFFFAOYSA-N
XLogP2.04
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 165401423) is 2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is CCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is HPBOMWKBZHYYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-3-19-22-13-17(18-12-15(2)24-29-18)21(23-19)16-4-6-25(7-5-16)14-20(27)26-8-10-28-11-9-26/h12-13,16H,3-11,14H2,1-2H3.
What are the key properties of 2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 399.50 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 165401423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).