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

C17H29N3O2 — CID 71694299

IUPAC(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
SMILESCN1CCC(N2CCOC[C@H]2c2nc(C(C)(C)C)co2)CC1
InChIInChI=1S/C17H29N3O2/c1-17(2,3)15-12-22-16(18-15)14-11-21-10-9-20(14)13-5-7-19(4)8-6-13/h12-14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyNQYXEVJYUXEVHN-AWEZNQCLSA-N
MW307.44 g/mol
LogP2.44
Rot. Bonds2

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

(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine (PubChem CID 71694299) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
PubChem CID71694299
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
SMILESCN1CCC(N2CCOC[C@H]2c2nc(C(C)(C)C)co2)CC1
InChIInChI=1S/C17H29N3O2/c1-17(2,3)15-12-22-16(18-15)14-11-21-10-9-20(14)13-5-7-19(4)8-6-13/h12-14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyNQYXEVJYUXEVHN-AWEZNQCLSA-N
XLogP2.44
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.44
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-(1-methylpiperidin-4-yl)morpholine?
The IUPAC name of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine (CID 71694299) is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine.
What is the SMILES notation for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine?
The canonical SMILES for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine is CN1CCC(N2CCOC[C@H]2c2nc(C(C)(C)C)co2)CC1.
What is the InChIKey of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine?
The InChIKey is NQYXEVJYUXEVHN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-17(2,3)15-12-22-16(18-15)14-11-21-10-9-20(14)13-5-7-19(4)8-6-13/h12-14H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine?
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine has a molecular weight of 307.44 g/mol, XLogP of 2.44, 2 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-(1-methylpiperidin-4-yl)morpholine is sourced from PubChem (CID 71694299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).