(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine

C15H22N4O2 — CID 71694306

IUPAC(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
SMILESCC(C)(C)c1coc([C@@H]2COCCN2Cc2cnc[nH]2)n1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)13-9-21-14(18-13)12-8-20-5-4-19(12)7-11-6-16-10-17-11/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyGLXYKQOXEAVCFD-LBPRGKRZSA-N
MW290.37 g/mol
LogP2.27
Rot. Bonds3

About (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine

(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine (PubChem CID 71694306) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
PubChem CID71694306
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
SMILESCC(C)(C)c1coc([C@@H]2COCCN2Cc2cnc[nH]2)n1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)13-9-21-14(18-13)12-8-20-5-4-19(12)7-11-6-16-10-17-11/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyGLXYKQOXEAVCFD-LBPRGKRZSA-N
XLogP2.27
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
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-(1H-imidazol-5-ylmethyl)morpholine?
The IUPAC name of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine (CID 71694306) is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine.
What is the SMILES notation for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine?
The canonical SMILES for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine is CC(C)(C)c1coc([C@@H]2COCCN2Cc2cnc[nH]2)n1.
What is the InChIKey of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine?
The InChIKey is GLXYKQOXEAVCFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)13-9-21-14(18-13)12-8-20-5-4-19(12)7-11-6-16-10-17-11/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine?
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine has a molecular weight of 290.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 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-(1H-imidazol-5-ylmethyl)morpholine is sourced from PubChem (CID 71694306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).