ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole

C14H21N3O — CID 142883982

IUPACethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole
SMILESCC.CCC(CC)c1nc(-c2cccnn2)co1
InChIInChI=1S/C12H15N3O.C2H6/c1-3-9(4-2)12-14-11(8-16-12)10-6-5-7-13-15-10;1-2/h5-9H,3-4H2,1-2H3;1-2H3
InChIKeyVVKYPYWPVIZIGE-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.06
Rot. Bonds4

About ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole

ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole (PubChem CID 142883982) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole
PubChem CID142883982
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Nameethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole
SMILESCC.CCC(CC)c1nc(-c2cccnn2)co1
InChIInChI=1S/C12H15N3O.C2H6/c1-3-9(4-2)12-14-11(8-16-12)10-6-5-7-13-15-10;1-2/h5-9H,3-4H2,1-2H3;1-2H3
InChIKeyVVKYPYWPVIZIGE-UHFFFAOYSA-N
XLogP4.06
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole
CID 70985467
4-(1-methylpyrrol-3-yl)-2-pentan-3-yl-1,3-oxazole
CID 142883931
3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine
CID 6417966
2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole
CID 70917872
2-pyridazin-3-ylpentan-3-amine
CID 63550355
5-methyl-3-pyridazin-3-yl-1,2-thiazole
CID 163742338
5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 71088319
N-pentan-3-ylpyridazin-3-amine
CID 62482228
2-pyridazin-3-ylpentan-3-ol
CID 63560604
6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 142484556
ethane;2-pentan-3-ylpyridine
CID 142883968
(1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 155280919

Frequently Asked Questions

What is the IUPAC name of ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole?
The IUPAC name of ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole (CID 142883982) is ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole.
What is the SMILES notation for ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole?
The canonical SMILES for ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole is CC.CCC(CC)c1nc(-c2cccnn2)co1.
What is the InChIKey of ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole?
The InChIKey is VVKYPYWPVIZIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.C2H6/c1-3-9(4-2)12-14-11(8-16-12)10-6-5-7-13-15-10;1-2/h5-9H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole?
ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole has a molecular weight of 247.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole is sourced from PubChem (CID 142883982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).