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

C17H16ClN3O3 — CID 56749713

IUPACethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2nc(-c3ccccc3Cl)oc2C)c1
InChIInChI=1S/C17H16ClN3O3/c1-3-23-17(22)12-8-19-21(9-12)10-15-11(2)24-16(20-15)13-6-4-5-7-14(13)18/h4-9H,3,10H2,1-2H3
InChIKeyDFRFBIYVSZJYCU-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.72
Rot. Bonds5

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

ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate (PubChem CID 56749713) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate
PubChem CID56749713
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Nameethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2nc(-c3ccccc3Cl)oc2C)c1
InChIInChI=1S/C17H16ClN3O3/c1-3-23-17(22)12-8-19-21(9-12)10-15-11(2)24-16(20-15)13-6-4-5-7-14(13)18/h4-9H,3,10H2,1-2H3
InChIKeyDFRFBIYVSZJYCU-UHFFFAOYSA-N
XLogP3.72
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
methyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-4-carboxylate
CID 56739922
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 79970020
2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56748666
ethyl 1-[(2-aminophenyl)methyl]pyrazole-4-carboxylate
CID 81498202
methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883217
ethyl 1-[(2-chloro-4-methylpyrimidin-5-yl)methyl]pyrazole-4-carboxylate
CID 156826523
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156813
4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
CID 58081217
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 18169852
ethyl 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127819
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate (CID 56749713) is ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2nc(-c3ccccc3Cl)oc2C)c1.
What is the InChIKey of ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate?
The InChIKey is DFRFBIYVSZJYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-3-23-17(22)12-8-19-21(9-12)10-15-11(2)24-16(20-15)13-6-4-5-7-14(13)18/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate?
ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate has a molecular weight of 345.79 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 56749713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).