(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate

C15H15N5O3 — CID 55562307

IUPAC(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2nc(-c3cccnc3)no2)n[nH]1
InChIInChI=1S/C15H15N5O3/c1-2-4-11-7-12(19-18-11)15(21)22-9-13-17-14(20-23-13)10-5-3-6-16-8-10/h3,5-8H,2,4,9H2,1H3,(H,18,19)
InChIKeyGVDVNDCICLHWEZ-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.16
Rot. Bonds6

About (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate (PubChem CID 55562307) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
PubChem CID55562307
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCc2nc(-c3cccnc3)no2)n[nH]1
InChIInChI=1S/C15H15N5O3/c1-2-4-11-7-12(19-18-11)15(21)22-9-13-17-14(20-23-13)10-5-3-6-16-8-10/h3,5-8H,2,4,9H2,1H3,(H,18,19)
InChIKeyGVDVNDCICLHWEZ-UHFFFAOYSA-N
XLogP2.16
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-sulfamoylbenzoate
CID 55499436
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-5-sulfamoylbenzoate
CID 55492427
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 55492264
(5-methyl-1,2-oxazol-3-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562184
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methylphenoxy)acetate
CID 29433226
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(difluoromethylsulfanyl)benzoate
CID 30259115
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55500365
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(2-chlorophenyl)propanoate
CID 71900087
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 55497181
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 29470170

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
The IUPAC name of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate (CID 55562307) is (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate is CCCc1cc(C(=O)OCc2nc(-c3cccnc3)no2)n[nH]1.
What is the InChIKey of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
The InChIKey is GVDVNDCICLHWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-2-4-11-7-12(19-18-11)15(21)22-9-13-17-14(20-23-13)10-5-3-6-16-8-10/h3,5-8H,2,4,9H2,1H3,(H,18,19).
What are the key properties of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate?
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate has a molecular weight of 313.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 55562307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).