[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C24H24ClNO5 — CID 16870134

IUPAC[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(-c2cc(COC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1OC
InChIInChI=1S/C24H24ClNO5/c1-28-20-10-5-16(13-22(20)29-2)21-14-19(26-31-21)15-30-23(27)24(11-3-4-12-24)17-6-8-18(25)9-7-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKeyRQLBDDUIGDTHGK-UHFFFAOYSA-N
MW441.91 g/mol
LogP5.57
Rot. Bonds7

About [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 16870134) has the molecular formula C24H24ClNO5 and a molecular weight of 441.91 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID16870134
Molecular FormulaC24H24ClNO5
Molecular Weight441.91 g/mol
Exact Mass441.13
IUPAC Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(-c2cc(COC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1OC
InChIInChI=1S/C24H24ClNO5/c1-28-20-10-5-16(13-22(20)29-2)21-14-19(26-31-21)15-30-23(27)24(11-3-4-12-24)17-6-8-18(25)9-7-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKeyRQLBDDUIGDTHGK-UHFFFAOYSA-N
XLogP5.57
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.91
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55384481
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl (Z)-but-2-enoate
CID 16870045
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 16520238
N-[(4-chlorophenyl)methyl]-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504048
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3,3-diphenylpropanoate
CID 16870133
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867291
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate
CID 16870103
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 43048760
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
CID 16867294
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55533819
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866171
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 16870134) is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is COc1ccc(-c2cc(COC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is RQLBDDUIGDTHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO5/c1-28-20-10-5-16(13-22(20)29-2)21-14-19(26-31-21)15-30-23(27)24(11-3-4-12-24)17-6-8-18(25)9-7-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 441.91 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 16870134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).