(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate

C14H13Cl2NO3 — CID 2433695

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate
SMILESCc1noc(C)c1COC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO3/c1-8-11(9(2)20-17-8)7-19-14(18)6-10-3-4-12(15)13(16)5-10/h3-5H,6-7H2,1-2H3
InChIKeyBUYHBFXJANFBJK-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.88
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate (PubChem CID 2433695) has the molecular formula C14H13Cl2NO3 and a molecular weight of 314.17 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate
PubChem CID2433695
Molecular FormulaC14H13Cl2NO3
Molecular Weight314.17 g/mol
Exact Mass313.03
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate
SMILESCc1noc(C)c1COC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO3/c1-8-11(9(2)20-17-8)7-19-14(18)6-10-3-4-12(15)13(16)5-10/h3-5H,6-7H2,1-2H3
InChIKeyBUYHBFXJANFBJK-UHFFFAOYSA-N
XLogP3.88
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
CID 619436
5-(4-Chloro-phenyl)-3-methyl-isoxazole-4-carboxylic acid methyl ester
CID 2744000
Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate
CID 90426
3-(2-Chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid methyl ester
CID 2775337
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-chloro-4,5-difluorobenzoate
CID 2433498
Methyl 4-{[(4-chlorobenzoyl)oxy]ethanimidoyl}-5-methylisoxazole-3-carboxylate
CID 9580929
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2409896
Ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate
CID 776507
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(4-chlorophenyl)acetate
CID 2433558
[3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl]methyl 4-chlorobenzoate
CID 2726307
Methyl 5-(3,4-dichlorophenyl)-3-nitro-1,2-oxazole-4-carboxylate
CID 122207400
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 2116662

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate (CID 2433695) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate is Cc1noc(C)c1COC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate?
The InChIKey is BUYHBFXJANFBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3/c1-8-11(9(2)20-17-8)7-19-14(18)6-10-3-4-12(15)13(16)5-10/h3-5H,6-7H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate has a molecular weight of 314.17 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 2433695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).