(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate

C15H16ClNO5 — CID 4781182

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCc2c(C)noc2C)cc(Cl)c1OC
InChIInChI=1S/C15H16ClNO5/c1-8-11(9(2)22-17-8)7-21-15(18)10-5-12(16)14(20-4)13(6-10)19-3/h5-6H,7H2,1-4H3
InChIKeyLMTPAXSDLOWKDQ-UHFFFAOYSA-N
MW325.75 g/mol
LogP3.32
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate (PubChem CID 4781182) has the molecular formula C15H16ClNO5 and a molecular weight of 325.75 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
PubChem CID4781182
Molecular FormulaC15H16ClNO5
Molecular Weight325.75 g/mol
Exact Mass325.07
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCc2c(C)noc2C)cc(Cl)c1OC
InChIInChI=1S/C15H16ClNO5/c1-8-11(9(2)22-17-8)7-21-15(18)10-5-12(16)14(20-4)13(6-10)19-3/h5-6H,7H2,1-4H3
InChIKeyLMTPAXSDLOWKDQ-UHFFFAOYSA-N
XLogP3.32
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 3881319
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
CID 18127735
3,5-dichloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771268
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 24518547
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate
CID 18074027
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681045
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681084
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55308322
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 18157227
(6,7-dimethyl-2-oxochromen-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 7362858
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31133315

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate (CID 4781182) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate is COc1cc(C(=O)OCc2c(C)noc2C)cc(Cl)c1OC.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
The InChIKey is LMTPAXSDLOWKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO5/c1-8-11(9(2)22-17-8)7-21-15(18)10-5-12(16)14(20-4)13(6-10)19-3/h5-6H,7H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate has a molecular weight of 325.75 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate is sourced from PubChem (CID 4781182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).