(2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine

C17H22N2O4 — CID 59166866

IUPAC(2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine
SMILESCCOc1ccccc1OC(c1nc(C)co1)[C@@H]1CNCCO1
InChIInChI=1S/C17H22N2O4/c1-3-20-13-6-4-5-7-14(13)23-16(15-10-18-8-9-21-15)17-19-12(2)11-22-17/h4-7,11,15-16,18H,3,8-10H2,1-2H3/t15-,16?/m0/s1
InChIKeyUVXSYGIVLOXJCV-VYRBHSGPSA-N
MW318.37 g/mol
LogP2.49
Rot. Bonds6

About (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine

(2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine (PubChem CID 59166866) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine
PubChem CID59166866
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine
SMILESCCOc1ccccc1OC(c1nc(C)co1)[C@@H]1CNCCO1
InChIInChI=1S/C17H22N2O4/c1-3-20-13-6-4-5-7-14(13)23-16(15-10-18-8-9-21-15)17-19-12(2)11-22-17/h4-7,11,15-16,18H,3,8-10H2,1-2H3/t15-,16?/m0/s1
InChIKeyUVXSYGIVLOXJCV-VYRBHSGPSA-N
XLogP2.49
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine with MolForge

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Related Compounds

2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine
CID 68542656
2-[(2-ethoxyphenoxy)-(4-methylphenyl)methyl]morpholine
CID 74337094
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
(2R)-2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 59166891
2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 11616643
2-[(2-ethoxyphenoxy)-(4-methoxyphenyl)methyl]morpholine
CID 10066040
2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 174902132
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
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
2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine
CID 68542255

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine (CID 59166866) is (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine is CCOc1ccccc1OC(c1nc(C)co1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine?
The InChIKey is UVXSYGIVLOXJCV-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-20-13-6-4-5-7-14(13)23-16(15-10-18-8-9-21-15)17-19-12(2)11-22-17/h4-7,11,15-16,18H,3,8-10H2,1-2H3/t15-,16?/m0/s1.
What are the key properties of (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine?
(2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine has a molecular weight of 318.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethoxyphenoxy)-(4-methyl-1,3-oxazol-2-yl)methyl]morpholine is sourced from PubChem (CID 59166866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).