3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

C18H19N5O2 — CID 125141337

IUPAC3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1ccc(C2=NO[C@H](CNc3nnc(C)c(C)c3C#N)C2)cc1
InChIInChI=1S/C18H19N5O2/c1-11-12(2)21-22-18(16(11)9-19)20-10-15-8-17(23-25-15)13-4-6-14(24-3)7-5-13/h4-7,15H,8,10H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyGAUUKOUQAIMTSS-HNNXBMFYSA-N
MW337.38 g/mol
LogP2.58
Rot. Bonds5

About 3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 125141337) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID125141337
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1ccc(C2=NO[C@H](CNc3nnc(C)c(C)c3C#N)C2)cc1
InChIInChI=1S/C18H19N5O2/c1-11-12(2)21-22-18(16(11)9-19)20-10-15-8-17(23-25-15)13-4-6-14(24-3)7-5-13/h4-7,15H,8,10H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyGAUUKOUQAIMTSS-HNNXBMFYSA-N
XLogP2.58
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-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-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 125141337) is 3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is COc1ccc(C2=NO[C@H](CNc3nnc(C)c(C)c3C#N)C2)cc1.
What is the InChIKey of 3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is GAUUKOUQAIMTSS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-12(2)21-22-18(16(11)9-19)20-10-15-8-17(23-25-15)13-4-6-14(24-3)7-5-13/h4-7,15H,8,10H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 125141337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).