2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide

C22H23ClN2O5 — CID 16867294

IUPAC2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
SMILESCOc1ccc(-c2cc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)no2)cc1OC
InChIInChI=1S/C22H23ClN2O5/c1-22(2,29-17-8-6-15(23)7-9-17)21(26)24-13-16-12-19(30-25-16)14-5-10-18(27-3)20(11-14)28-4/h5-12H,13H2,1-4H3,(H,24,26)
InChIKeyGSRVHTWQCGJSRR-UHFFFAOYSA-N
MW430.89 g/mol
LogP4.49
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide (PubChem CID 16867294) has the molecular formula C22H23ClN2O5 and a molecular weight of 430.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
PubChem CID16867294
Molecular FormulaC22H23ClN2O5
Molecular Weight430.89 g/mol
Exact Mass430.13
IUPAC Name2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
SMILESCOc1ccc(-c2cc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)no2)cc1OC
InChIInChI=1S/C22H23ClN2O5/c1-22(2,29-17-8-6-15(23)7-9-17)21(26)24-13-16-12-19(30-25-16)14-5-10-18(27-3)20(11-14)28-4/h5-12H,13H2,1-4H3,(H,24,26)
InChIKeyGSRVHTWQCGJSRR-UHFFFAOYSA-N
XLogP4.49
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 6494801
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867291
4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867237
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 1107035
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 16867310
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopentanecarboxamide
CID 16867224
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]naphthalene-2-carboxamide
CID 16867283
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16879344
N-[(4-chlorophenyl)methyl]-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504048

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide (CID 16867294) is 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide is COc1ccc(-c2cc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)no2)cc1OC.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
The InChIKey is GSRVHTWQCGJSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5/c1-22(2,29-17-8-6-15(23)7-9-17)21(26)24-13-16-12-19(30-25-16)14-5-10-18(27-3)20(11-14)28-4/h5-12H,13H2,1-4H3,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide has a molecular weight of 430.89 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 16867294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).