methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate

C15H21N3O3 — CID 114371280

IUPACmethyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2cc(CC)nn2CC)oc1C(=O)OC
InChIInChI=1S/C15H21N3O3/c1-5-8-11-13(15(19)20-4)21-14(16-11)12-9-10(6-2)17-18(12)7-3/h9H,5-8H2,1-4H3
InChIKeyZWLBPHGRFNGFPN-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.86
Rot. Bonds6

About methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate

methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate (PubChem CID 114371280) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate
PubChem CID114371280
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2cc(CC)nn2CC)oc1C(=O)OC
InChIInChI=1S/C15H21N3O3/c1-5-8-11-13(15(19)20-4)21-14(16-11)12-9-10(6-2)17-18(12)7-3/h9H,5-8H2,1-4H3
InChIKeyZWLBPHGRFNGFPN-UHFFFAOYSA-N
XLogP2.86
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-(1,3-diethylpyrazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 114373037
methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 106690540
methyl 2-(5-iodothiophen-3-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371049
methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107942073
methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371068
methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371184
methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371286
methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371293
methyl 2-(2-methylbutyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114877409
methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107003577
methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate
CID 114371262
5-(1,3-diethylpyrazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 66121190

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate (CID 114371280) is methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate is CCCc1nc(-c2cc(CC)nn2CC)oc1C(=O)OC.
What is the InChIKey of methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate?
The InChIKey is ZWLBPHGRFNGFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-8-11-13(15(19)20-4)21-14(16-11)12-9-10(6-2)17-18(12)7-3/h9H,5-8H2,1-4H3.
What are the key properties of methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate?
methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).