[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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Related Compounds

[5-[[2-(2-fluoro-3-pyridinyl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl carbamate
CID 90286757
4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide
CID 90286292
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
tert-butyl N-[[5-[(3-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
CID 90292478
2-morpholin-4-ylbenzohydrazide
CID 7148386
4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine
CID 167513814
morpholin-4-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 24997581
4-(2-phenoxyphenyl)morpholine
CID 518097
[4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate
CID 174664478
1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine
CID 62697897
methylsulfanylmethyl 2-morpholin-4-ylbenzoate
CID 174939418
4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine
CID 142614400

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).