[5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate

C16H21N3O5 — CID 90286285

IUPAC[5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate
SMILESNC(=O)OCC1=NOC(COc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C16H21N3O5/c17-16(20)23-10-12-9-13(24-18-12)11-22-15-4-2-1-3-14(15)19-5-7-21-8-6-19/h1-4,13H,5-11H2,(H2,17,20)
InChIKeyRWWCAYSSCOKJNO-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.14
Rot. Bonds6

About [5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate

[5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate (PubChem CID 90286285) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is [5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate.

Molecular Properties

Compound Name[5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate
PubChem CID90286285
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name[5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate
SMILESNC(=O)OCC1=NOC(COc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C16H21N3O5/c17-16(20)23-10-12-9-13(24-18-12)11-22-15-4-2-1-3-14(15)19-5-7-21-8-6-19/h1-4,13H,5-11H2,(H2,17,20)
InChIKeyRWWCAYSSCOKJNO-UHFFFAOYSA-N
XLogP1.14
TPSA95.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate?
The IUPAC name of [5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate (CID 90286285) is [5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate.
What is the SMILES notation for [5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate?
The canonical SMILES for [5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate is NC(=O)OCC1=NOC(COc2ccccc2N2CCOCC2)C1.
What is the InChIKey of [5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate?
The InChIKey is RWWCAYSSCOKJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c17-16(20)23-10-12-9-13(24-18-12)11-22-15-4-2-1-3-14(15)19-5-7-21-8-6-19/h1-4,13H,5-11H2,(H2,17,20).
What are the key properties of [5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate?
[5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate has a molecular weight of 335.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate is sourced from PubChem (CID 90286285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).