5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole

C16H12N4O — CID 97117552

IUPAC5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESCC1=C(c2ccccc2)[C@H]1c1nc(-c2cccnn2)no1
InChIInChI=1S/C16H12N4O/c1-10-13(11-6-3-2-4-7-11)14(10)16-18-15(20-21-16)12-8-5-9-17-19-12/h2-9,14H,1H3/t14-/m0/s1
InChIKeyFMAZDEOPIYIJHW-AWEZNQCLSA-N
MW276.30 g/mol
LogP3.10
Rot. Bonds3

About 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole

5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole (PubChem CID 97117552) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole
PubChem CID97117552
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESCC1=C(c2ccccc2)[C@H]1c1nc(-c2cccnn2)no1
InChIInChI=1S/C16H12N4O/c1-10-13(11-6-3-2-4-7-11)14(10)16-18-15(20-21-16)12-8-5-9-17-19-12/h2-9,14H,1H3/t14-/m0/s1
InChIKeyFMAZDEOPIYIJHW-AWEZNQCLSA-N
XLogP3.10
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

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5-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
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5-(5-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
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5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
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N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
CID 72940116
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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole (CID 97117552) is 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole is CC1=C(c2ccccc2)[C@H]1c1nc(-c2cccnn2)no1.
What is the InChIKey of 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The InChIKey is FMAZDEOPIYIJHW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-13(11-6-3-2-4-7-11)14(10)16-18-15(20-21-16)12-8-5-9-17-19-12/h2-9,14H,1H3/t14-/m0/s1.
What are the key properties of 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole has a molecular weight of 276.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 97117552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).