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

C22H31N5O3 — CID 165401412

IUPAC2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C22H31N5O3/c1-3-4-20-23-14-18(19-13-16(2)25-30-19)22(24-20)17-5-7-26(8-6-17)15-21(28)27-9-11-29-12-10-27/h13-14,17H,3-12,15H2,1-2H3
InChIKeyWJLHLEJXWGIKDZ-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.43
Rot. Bonds6

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

2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 165401412) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID165401412
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C22H31N5O3/c1-3-4-20-23-14-18(19-13-16(2)25-30-19)22(24-20)17-5-7-26(8-6-17)15-21(28)27-9-11-29-12-10-27/h13-14,17H,3-12,15H2,1-2H3
InChIKeyWJLHLEJXWGIKDZ-UHFFFAOYSA-N
XLogP2.43
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 165401412) is 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is CCCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is WJLHLEJXWGIKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-3-4-20-23-14-18(19-13-16(2)25-30-19)22(24-20)17-5-7-26(8-6-17)15-21(28)27-9-11-29-12-10-27/h13-14,17H,3-12,15H2,1-2H3.
What are the key properties of 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 413.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 165401412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).