[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate

C18H19N3O4 — CID 24671310

IUPAC[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2coc(-c3ccc(OC)cc3)n2)n[nH]1
InChIInChI=1S/C18H19N3O4/c1-3-4-13-9-16(21-20-13)18(22)25-11-14-10-24-17(19-14)12-5-7-15(23-2)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyHACNCJCGHMAFQG-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.38
Rot. Bonds7

About [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate (PubChem CID 24671310) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
PubChem CID24671310
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2coc(-c3ccc(OC)cc3)n2)n[nH]1
InChIInChI=1S/C18H19N3O4/c1-3-4-13-9-16(21-20-13)18(22)25-11-14-10-24-17(19-14)12-5-7-15(23-2)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyHACNCJCGHMAFQG-UHFFFAOYSA-N
XLogP3.38
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562184
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 32685436
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate
CID 55539141
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
CID 55538994
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55531590
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 31718301
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
CID 55538335
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 24657692
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
CID 32654742
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 3-(2-chlorophenyl)triazole-4-carboxylate
CID 166200703

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate (CID 24671310) is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate is CCCc1cc(C(=O)OCc2coc(-c3ccc(OC)cc3)n2)n[nH]1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate?
The InChIKey is HACNCJCGHMAFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-4-13-9-16(21-20-13)18(22)25-11-14-10-24-17(19-14)12-5-7-15(23-2)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate?
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 24671310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).