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

C20H19ClN2O4 — CID 110632940

IUPAC2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CC(=O)NOCCOc1ccccc1
InChIInChI=1S/C20H19ClN2O4/c1-14-18(22-20(27-14)15-6-5-7-16(21)12-15)13-19(24)23-26-11-10-25-17-8-3-2-4-9-17/h2-9,12H,10-11,13H2,1H3,(H,23,24)
InChIKeyONZBJGANWRCJRT-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.97
Rot. Bonds8

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

2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide (PubChem CID 110632940) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
PubChem CID110632940
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CC(=O)NOCCOc1ccccc1
InChIInChI=1S/C20H19ClN2O4/c1-14-18(22-20(27-14)15-6-5-7-16(21)12-15)13-19(24)23-26-11-10-25-17-8-3-2-4-9-17/h2-9,12H,10-11,13H2,1H3,(H,23,24)
InChIKeyONZBJGANWRCJRT-UHFFFAOYSA-N
XLogP3.97
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
CID 110354976
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 110673683
4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide
CID 110673681
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol;(3R,4S)-4-[[4-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-phenoxycarbonylpyrrolidine-3-carboxylic acid
CID 161007929
(3R,4S)-4-[[4-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-ethoxycarbonylpyrrolidine-3-carboxylic acid
CID 58977854
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 30396724
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 110408424
4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
CID 26012287
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238
N-(2-methoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide (CID 110632940) is 2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide is Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)NOCCOc1ccccc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide?
The InChIKey is ONZBJGANWRCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-14-18(22-20(27-14)15-6-5-7-16(21)12-15)13-19(24)23-26-11-10-25-17-8-3-2-4-9-17/h2-9,12H,10-11,13H2,1H3,(H,23,24).
What are the key properties of 2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide?
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide has a molecular weight of 386.84 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 110632940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).