2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine

C16H20N2O4 — CID 68542656

IUPAC2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine
SMILESCCOc1ccccc1O[C@H](c1ncco1)C1CNCCO1
InChIInChI=1S/C16H20N2O4/c1-2-19-12-5-3-4-6-13(12)22-15(16-18-8-10-21-16)14-11-17-7-9-20-14/h3-6,8,10,14-15,17H,2,7,9,11H2,1H3/t14?,15-/m0/s1
InChIKeyZAUHFWYHELQZRR-LOACHALJSA-N
MW304.35 g/mol
LogP2.18
Rot. Bonds6

About 2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine

2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine (PubChem CID 68542656) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine
PubChem CID68542656
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine
SMILESCCOc1ccccc1O[C@H](c1ncco1)C1CNCCO1
InChIInChI=1S/C16H20N2O4/c1-2-19-12-5-3-4-6-13(12)22-15(16-18-8-10-21-16)14-11-17-7-9-20-14/h3-6,8,10,14-15,17H,2,7,9,11H2,1H3/t14?,15-/m0/s1
InChIKeyZAUHFWYHELQZRR-LOACHALJSA-N
XLogP2.18
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 59166891
2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 11616643
(2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine
CID 59166866
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
2-[(2-ethoxyphenoxy)-(4-methylphenyl)methyl]morpholine
CID 74337094
2-[(2-ethoxyphenoxy)-(4-methoxyphenyl)methyl]morpholine
CID 10066040
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 174902132
2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 23458462
(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid;hydrate
CID 88922222
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814
(2S)-2-[(R)-(4-chloro-2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 68597009

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine?
The IUPAC name of 2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine (CID 68542656) is 2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine is CCOc1ccccc1O[C@H](c1ncco1)C1CNCCO1.
What is the InChIKey of 2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine?
The InChIKey is ZAUHFWYHELQZRR-LOACHALJSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-19-12-5-3-4-6-13(12)22-15(16-18-8-10-21-16)14-11-17-7-9-20-14/h3-6,8,10,14-15,17H,2,7,9,11H2,1H3/t14?,15-/m0/s1.
What are the key properties of 2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine?
2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine has a molecular weight of 304.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine is sourced from PubChem (CID 68542656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).