2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole

C21H27N5O3 — CID 97343791

IUPAC2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
SMILESCC(C)N1CCO[C@H](c2noc(C3CCN(c4nc5ccccc5o4)CC3)n2)C1
InChIInChI=1S/C21H27N5O3/c1-14(2)26-11-12-27-18(13-26)19-23-20(29-24-19)15-7-9-25(10-8-15)21-22-16-5-3-4-6-17(16)28-21/h3-6,14-15,18H,7-13H2,1-2H3/t18-/m0/s1
InChIKeyXSXRHGFGGIDFER-SFHVURJKSA-N
MW397.48 g/mol
LogP3.38
Rot. Bonds4

About 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole

2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole (PubChem CID 97343791) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
PubChem CID97343791
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
SMILESCC(C)N1CCO[C@H](c2noc(C3CCN(c4nc5ccccc5o4)CC3)n2)C1
InChIInChI=1S/C21H27N5O3/c1-14(2)26-11-12-27-18(13-26)19-23-20(29-24-19)15-7-9-25(10-8-15)21-22-16-5-3-4-6-17(16)28-21/h3-6,14-15,18H,7-13H2,1-2H3/t18-/m0/s1
InChIKeyXSXRHGFGGIDFER-SFHVURJKSA-N
XLogP3.38
TPSA80.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
CID 154838652
2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine
CID 79657282
2-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine
CID 79657123
4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
CID 104900713
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126892246
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79657430
3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79664886
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 79665811
5-[5-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethanimidoyl-N-methylaniline
CID 142338249
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]methanamine
CID 61338953
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161835
2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 174972137

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole (CID 97343791) is 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole is CC(C)N1CCO[C@H](c2noc(C3CCN(c4nc5ccccc5o4)CC3)n2)C1.
What is the InChIKey of 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?
The InChIKey is XSXRHGFGGIDFER-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-14(2)26-11-12-27-18(13-26)19-23-20(29-24-19)15-7-9-25(10-8-15)21-22-16-5-3-4-6-17(16)28-21/h3-6,14-15,18H,7-13H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?
2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole has a molecular weight of 397.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 97343791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).