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

C17H19ClN2O4 — CID 110357114

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
SMILESCC1(CCNC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)OCCO1
InChIInChI=1S/C17H19ClN2O4/c1-17(22-8-9-23-17)6-7-19-16(21)11-14-10-15(24-20-14)12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,19,21)
InChIKeyBKXFCBMFWRUWET-UHFFFAOYSA-N
MW350.80 g/mol
LogP2.81
Rot. Bonds6

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

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide (PubChem CID 110357114) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
PubChem CID110357114
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
SMILESCC1(CCNC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)OCCO1
InChIInChI=1S/C17H19ClN2O4/c1-17(22-8-9-23-17)6-7-19-16(21)11-14-10-15(24-20-14)12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,19,21)
InChIKeyBKXFCBMFWRUWET-UHFFFAOYSA-N
XLogP2.81
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 16878595
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-(3-methylbutyl)acetamide
CID 16878594
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)-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-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide
CID 110313875
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-[2-(diethylamino)ethoxy]ethyl]acetamide
CID 110619907
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110316706
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide (CID 110357114) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide is CC1(CCNC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)OCCO1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide?
The InChIKey is BKXFCBMFWRUWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-17(22-8-9-23-17)6-7-19-16(21)11-14-10-15(24-20-14)12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,19,21).
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide has a molecular weight of 350.80 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 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-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 110357114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).