(5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole

C18H15ClN4O — CID 2434050

IUPAC(5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(Cl)c1[C@H]1N=C(c2ccccc2)NO1
InChIInChI=1S/C18H15ClN4O/c1-12-15(16(19)23(21-12)14-10-6-3-7-11-14)18-20-17(22-24-18)13-8-4-2-5-9-13/h2-11,18H,1H3,(H,20,22)/t18-/m0/s1
InChIKeyFBJZUBRPTXKKQE-SFHVURJKSA-N
MW338.80 g/mol
LogP3.81
Rot. Bonds3

About (5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole

(5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 2434050) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is (5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name(5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole
PubChem CID2434050
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name(5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(Cl)c1[C@H]1N=C(c2ccccc2)NO1
InChIInChI=1S/C18H15ClN4O/c1-12-15(16(19)23(21-12)14-10-6-3-7-11-14)18-20-17(22-24-18)13-8-4-2-5-9-13/h2-11,18H,1H3,(H,20,22)/t18-/m0/s1
InChIKeyFBJZUBRPTXKKQE-SFHVURJKSA-N
XLogP3.81
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
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4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
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ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7112613
(6S)-10-bromo-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
CID 6401972

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of (5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole (CID 2434050) is (5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for (5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for (5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole is Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1N=C(c2ccccc2)NO1.
What is the InChIKey of (5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is FBJZUBRPTXKKQE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-12-15(16(19)23(21-12)14-10-6-3-7-11-14)18-20-17(22-24-18)13-8-4-2-5-9-13/h2-11,18H,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole?
(5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 338.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 2434050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).