1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone

C16H18N2O3 — CID 72737727

IUPAC1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccno1)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C16H18N2O3/c19-16(15-8-9-17-21-15)18-10-11-20-14(12-18)7-6-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2
InChIKeyGBNUUVATRSZPIX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.15
Rot. Bonds4

About 1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone

1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone (PubChem CID 72737727) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone
PubChem CID72737727
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccno1)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C16H18N2O3/c19-16(15-8-9-17-21-15)18-10-11-20-14(12-18)7-6-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2
InChIKeyGBNUUVATRSZPIX-UHFFFAOYSA-N
XLogP2.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone (CID 72737727) is 1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone is O=C(c1ccno1)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone?
The InChIKey is GBNUUVATRSZPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(15-8-9-17-21-15)18-10-11-20-14(12-18)7-6-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2.
What are the key properties of 1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone?
1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone has a molecular weight of 286.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[2-(2-phenylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 72737727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).