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

C17H23N3O2 — CID 71694302

IUPAC(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine
SMILESCC(C)(C)c1coc([C@@H]2COCCN2Cc2ccccn2)n1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)15-12-22-16(19-15)14-11-21-9-8-20(14)10-13-6-4-5-7-18-13/h4-7,12,14H,8-11H2,1-3H3/t14-/m0/s1
InChIKeyRRAGCCNIICZLBA-AWEZNQCLSA-N
MW301.39 g/mol
LogP2.94
Rot. Bonds3

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

(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine (PubChem CID 71694302) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine
PubChem CID71694302
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine
SMILESCC(C)(C)c1coc([C@@H]2COCCN2Cc2ccccn2)n1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)15-12-22-16(19-15)14-11-21-9-8-20(14)10-13-6-4-5-7-18-13/h4-7,12,14H,8-11H2,1-3H3/t14-/m0/s1
InChIKeyRRAGCCNIICZLBA-AWEZNQCLSA-N
XLogP2.94
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine
CID 71694317
(3Z,6Z)-3-[(5-tert-butyl-1,3-oxazol-4-yl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CID 16068227
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(quinolin-3-ylmethyl)morpholine
CID 71694315
4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline
CID 75367207
N-methyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide
CID 95827459
N,N-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)azetidine-3-carboxamide
CID 95827460
N,N-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-(3-pyridin-2-ylpropyl)azetidine-2-carboxamide
CID 118739979
(1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine
CID 95210403
(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 97066858
(2,5-Dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 122153399
1-[(3-Fluoropyridin-4-yl)methyl]-2-methyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]piperazine
CID 163350135
1-[(3-Fluoropyridin-2-yl)methyl]-4-[(1,3-oxazol-4-yl)methyl]piperazine
CID 166604990

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine?
The IUPAC name of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine (CID 71694302) is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine.
What is the SMILES notation for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine?
The canonical SMILES for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine is CC(C)(C)c1coc([C@@H]2COCCN2Cc2ccccn2)n1.
What is the InChIKey of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine?
The InChIKey is RRAGCCNIICZLBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)15-12-22-16(19-15)14-11-21-9-8-20(14)10-13-6-4-5-7-18-13/h4-7,12,14H,8-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine?
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-(pyridin-2-ylmethyl)morpholine has a molecular weight of 301.39 g/mol, XLogP of 2.94, 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-(pyridin-2-ylmethyl)morpholine is sourced from PubChem (CID 71694302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).