3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile

C15H18N4OS — CID 75452526

IUPAC3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(SCc2ncc(C(C)(C)C)o2)c(C#N)c1C
InChIInChI=1S/C15H18N4OS/c1-9-10(2)18-19-14(11(9)6-16)21-8-13-17-7-12(20-13)15(3,4)5/h7H,8H2,1-5H3
InChIKeyFFGPNXNQNKMHSU-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.54
Rot. Bonds3

About 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile

3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 75452526) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID75452526
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(SCc2ncc(C(C)(C)C)o2)c(C#N)c1C
InChIInChI=1S/C15H18N4OS/c1-9-10(2)18-19-14(11(9)6-16)21-8-13-17-7-12(20-13)15(3,4)5/h7H,8H2,1-5H3
InChIKeyFFGPNXNQNKMHSU-UHFFFAOYSA-N
XLogP3.54
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile (CID 75452526) is 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(SCc2ncc(C(C)(C)C)o2)c(C#N)c1C.
What is the InChIKey of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is FFGPNXNQNKMHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-9-10(2)18-19-14(11(9)6-16)21-8-13-17-7-12(20-13)15(3,4)5/h7H,8H2,1-5H3.
What are the key properties of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 302.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 75452526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).