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

C20H29N5O2 — CID 45488393

IUPAC4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
SMILESCCCN1CCC(c2nc(N3CCOCC3)ncc2-c2cc(C)no2)CC1
InChIInChI=1S/C20H29N5O2/c1-3-6-24-7-4-16(5-8-24)19-17(18-13-15(2)23-27-18)14-21-20(22-19)25-9-11-26-12-10-25/h13-14,16H,3-12H2,1-2H3
InChIKeyXPRQDLHNJHFKDO-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.87
Rot. Bonds5

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

4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine (PubChem CID 45488393) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
PubChem CID45488393
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
SMILESCCCN1CCC(c2nc(N3CCOCC3)ncc2-c2cc(C)no2)CC1
InChIInChI=1S/C20H29N5O2/c1-3-6-24-7-4-16(5-8-24)19-17(18-13-15(2)23-27-18)14-21-20(22-19)25-9-11-26-12-10-25/h13-14,16H,3-12H2,1-2H3
InChIKeyXPRQDLHNJHFKDO-UHFFFAOYSA-N
XLogP2.87
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine (CID 45488393) is 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine is CCCN1CCC(c2nc(N3CCOCC3)ncc2-c2cc(C)no2)CC1.
What is the InChIKey of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine?
The InChIKey is XPRQDLHNJHFKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-6-24-7-4-16(5-8-24)19-17(18-13-15(2)23-27-18)14-21-20(22-19)25-9-11-26-12-10-25/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine?
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine has a molecular weight of 371.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 45488393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).