2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide

C18H21ClN2O4 — CID 110313875

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide
SMILESO=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCC1(CO)CCOCC1
InChIInChI=1S/C18H21ClN2O4/c19-14-3-1-13(2-4-14)16-9-15(21-25-16)10-17(23)20-11-18(12-22)5-7-24-8-6-18/h1-4,9,22H,5-8,10-12H2,(H,20,23)
InChIKeyRWSPPYOQKAGCEU-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.44
Rot. Bonds6

About 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide (PubChem CID 110313875) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide
PubChem CID110313875
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide
SMILESO=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCC1(CO)CCOCC1
InChIInChI=1S/C18H21ClN2O4/c19-14-3-1-13(2-4-14)16-9-15(21-25-16)10-17(23)20-11-18(12-22)5-7-24-8-6-18/h1-4,9,22H,5-8,10-12H2,(H,20,23)
InChIKeyRWSPPYOQKAGCEU-UHFFFAOYSA-N
XLogP2.44
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 16878599
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
CID 110357114
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 16878595
N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 111538994
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylbutyl)acetamide
CID 16878594
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 110312947
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methoxyacetamide
CID 110619836
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenylphenyl)acetamide
CID 16878671
4-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-oxobutanamide
CID 110310297
N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878618

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide (CID 110313875) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide is O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCC1(CO)CCOCC1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide?
The InChIKey is RWSPPYOQKAGCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c19-14-3-1-13(2-4-14)16-9-15(21-25-16)10-17(23)20-11-18(12-22)5-7-24-8-6-18/h1-4,9,22H,5-8,10-12H2,(H,20,23).
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide has a molecular weight of 364.83 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide is sourced from PubChem (CID 110313875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).