[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

C14H13ClN2O3 — CID 17252967

IUPAC[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccc(Cl)c2)on1)N1CCOCC1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-1-2-10(8-11)13-9-12(16-20-13)14(18)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2
InChIKeyZPDZBFAYPWRNLJ-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.47
Rot. Bonds2

About [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 17252967) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID17252967
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccc(Cl)c2)on1)N1CCOCC1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-1-2-10(8-11)13-9-12(16-20-13)14(18)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2
InChIKeyZPDZBFAYPWRNLJ-UHFFFAOYSA-N
XLogP2.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 17252967) is [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCOCC1.
What is the InChIKey of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ZPDZBFAYPWRNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-3-1-2-10(8-11)13-9-12(16-20-13)14(18)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2.
What are the key properties of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 292.72 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17252967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).