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

C14H13ClN2O3 — CID 3242114

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOCC1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-1-10(2-4-11)13-9-12(16-20-13)14(18)17-5-7-19-8-6-17/h1-4,9H,5-8H2
InChIKeyIGFBDKJOVWCRIR-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.47
Rot. Bonds2

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

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 3242114) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID3242114
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOCC1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-1-10(2-4-11)13-9-12(16-20-13)14(18)17-5-7-19-8-6-17/h1-4,9H,5-8H2
InChIKeyIGFBDKJOVWCRIR-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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Related Compounds

Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093826
Azepan-1-yl-[5-(2,4-dichloro-phenyl)-isoxazol-3-yl]-methanone
CID 1093827
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(2-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093869
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(3-chlorophenyl)-N-cyclopentyl-3-isoxazolecarboxamide
CID 15993274
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 3242114) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOCC1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IGFBDKJOVWCRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-3-1-10(2-4-11)13-9-12(16-20-13)14(18)17-5-7-19-8-6-17/h1-4,9H,5-8H2.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(4-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-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3242114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).