2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid

C19H15ClN4O3 — CID 57395567

IUPAC2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C19H15ClN4O3/c20-13-8-6-12(7-9-13)16-10-15(19-21-17(27-23-19)11-18(25)26)22-24(16)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H,25,26)
InChIKeyVDPSKZGMCOYSSZ-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.71
Rot. Bonds5

About 2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid

2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 57395567) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID57395567
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C19H15ClN4O3/c20-13-8-6-12(7-9-13)16-10-15(19-21-17(27-23-19)11-18(25)26)22-24(16)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H,25,26)
InChIKeyVDPSKZGMCOYSSZ-UHFFFAOYSA-N
XLogP3.71
TPSA91.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid (CID 57395567) is 2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid is O=C(O)Cc1nc(C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)no1.
What is the InChIKey of 2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is VDPSKZGMCOYSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c20-13-8-6-12(7-9-13)16-10-15(19-21-17(27-23-19)11-18(25)26)22-24(16)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H,25,26).
What are the key properties of 2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 382.81 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 57395567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).