4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine

C21H25N7O2 — CID 110219861

IUPAC4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2C2CCCN(c3ncccn3)C2)on1
InChIInChI=1S/C21H25N7O2/c1-15-12-18(30-26-15)17-13-24-21(27-8-10-29-11-9-27)25-19(17)16-4-2-7-28(14-16)20-22-5-3-6-23-20/h3,5-6,12-13,16H,2,4,7-11,14H2,1H3
InChIKeyCJUZHLFDSZUGLP-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.45
Rot. Bonds4

About 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine

4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine (PubChem CID 110219861) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine
PubChem CID110219861
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2C2CCCN(c3ncccn3)C2)on1
InChIInChI=1S/C21H25N7O2/c1-15-12-18(30-26-15)17-13-24-21(27-8-10-29-11-9-27)25-19(17)16-4-2-7-28(14-16)20-22-5-3-6-23-20/h3,5-6,12-13,16H,2,4,7-11,14H2,1H3
InChIKeyCJUZHLFDSZUGLP-UHFFFAOYSA-N
XLogP2.45
TPSA93.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine (CID 110219861) is 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine is Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCCN(c3ncccn3)C2)on1.
What is the InChIKey of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine?
The InChIKey is CJUZHLFDSZUGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-15-12-18(30-26-15)17-13-24-21(27-8-10-29-11-9-27)25-19(17)16-4-2-7-28(14-16)20-22-5-3-6-23-20/h3,5-6,12-13,16H,2,4,7-11,14H2,1H3.
What are the key properties of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine?
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine has a molecular weight of 407.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 110219861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).