(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine

C21H25N3O2 — CID 71694315

IUPAC(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine
SMILESCC(C)(C)c1coc([C@@H]2COCCN2Cc2cnc3ccccc3c2)n1
InChIInChI=1S/C21H25N3O2/c1-21(2,3)19-14-26-20(23-19)18-13-25-9-8-24(18)12-15-10-16-6-4-5-7-17(16)22-11-15/h4-7,10-11,14,18H,8-9,12-13H2,1-3H3/t18-/m0/s1
InChIKeyLMOYOOFYYQVNEU-SFHVURJKSA-N
MW351.45 g/mol
LogP4.09
Rot. Bonds3

About (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine

(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine (PubChem CID 71694315) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine
PubChem CID71694315
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine
SMILESCC(C)(C)c1coc([C@@H]2COCCN2Cc2cnc3ccccc3c2)n1
InChIInChI=1S/C21H25N3O2/c1-21(2,3)19-14-26-20(23-19)18-13-25-9-8-24(18)12-15-10-16-6-4-5-7-17(16)22-11-15/h4-7,10-11,14,18H,8-9,12-13H2,1-3H3/t18-/m0/s1
InChIKeyLMOYOOFYYQVNEU-SFHVURJKSA-N
XLogP4.09
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine?
The IUPAC name of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine (CID 71694315) is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine.
What is the SMILES notation for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine?
The canonical SMILES for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine is CC(C)(C)c1coc([C@@H]2COCCN2Cc2cnc3ccccc3c2)n1.
What is the InChIKey of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine?
The InChIKey is LMOYOOFYYQVNEU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(2,3)19-14-26-20(23-19)18-13-25-9-8-24(18)12-15-10-16-6-4-5-7-17(16)22-11-15/h4-7,10-11,14,18H,8-9,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine?
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine has a molecular weight of 351.45 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine is sourced from PubChem (CID 71694315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).