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

C16H19ClN2O3 — CID 144928448

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
SMILESCC.O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOCC1
InChIInChI=1S/C14H13ClN2O3.C2H6/c15-11-3-1-10(2-4-11)13-9-12(16-20-13)14(18)17-5-7-19-8-6-17;1-2/h1-4,9H,5-8H2;1-2H3
InChIKeyCSDBLSWXJXUFNK-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.49
Rot. Bonds2

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

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane (PubChem CID 144928448) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
PubChem CID144928448
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
SMILESCC.O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOCC1
InChIInChI=1S/C14H13ClN2O3.C2H6/c15-11-3-1-10(2-4-11)13-9-12(16-20-13)14(18)17-5-7-19-8-6-17;1-2/h1-4,9H,5-8H2;1-2H3
InChIKeyCSDBLSWXJXUFNK-UHFFFAOYSA-N
XLogP3.49
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 1093832
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
[5-(1-methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 139676239
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682971
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 112845684
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane (CID 144928448) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane is CC.O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOCC1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane?
The InChIKey is CSDBLSWXJXUFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3.C2H6/c15-11-3-1-10(2-4-11)13-9-12(16-20-13)14(18)17-5-7-19-8-6-17;1-2/h1-4,9H,5-8H2;1-2H3.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane has a molecular weight of 322.79 g/mol, XLogP of 3.49, 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;ethane is sourced from PubChem (CID 144928448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).