1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate

C18H20N4O3 — CID 55562306

IUPAC1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OC(C)c2nnc(-c3ccc(C)cc3)o2)n[nH]1
InChIInChI=1S/C18H20N4O3/c1-4-5-14-10-15(20-19-14)18(23)24-12(3)16-21-22-17(25-16)13-8-6-11(2)7-9-13/h6-10,12H,4-5H2,1-3H3,(H,19,20)
InChIKeyZMKPEDINPSDUOZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.64
Rot. Bonds6

About 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate (PubChem CID 55562306) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate
PubChem CID55562306
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OC(C)c2nnc(-c3ccc(C)cc3)o2)n[nH]1
InChIInChI=1S/C18H20N4O3/c1-4-5-14-10-15(20-19-14)18(23)24-12(3)16-21-22-17(25-16)13-8-6-11(2)7-9-13/h6-10,12H,4-5H2,1-3H3,(H,19,20)
InChIKeyZMKPEDINPSDUOZ-UHFFFAOYSA-N
XLogP3.64
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate
CID 75466663
[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 30765323
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 24500940
[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-hydroxy-4-methylbenzoate
CID 8548817
[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-bromobenzoate
CID 9416207
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(hydroxymethyl)benzoate
CID 47009407
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-chlorobenzoate
CID 9413145
1-O-ethyl 4-O-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] (E)-but-2-enedioate
CID 9415984
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl furan-3-carboxylate
CID 46648531
[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] naphthalene-2-carboxylate
CID 9416628
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-fluoro-4-methoxybenzoate
CID 55393598
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-fluoro-4-methoxybenzoate
CID 8837639

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate?
The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate (CID 55562306) is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate is CCCc1cc(C(=O)OC(C)c2nnc(-c3ccc(C)cc3)o2)n[nH]1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate?
The InChIKey is ZMKPEDINPSDUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-5-14-10-15(20-19-14)18(23)24-12(3)16-21-22-17(25-16)13-8-6-11(2)7-9-13/h6-10,12H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate?
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-propyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 55562306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).