3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one

C16H14N4O3S — CID 46291372

IUPAC3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1oc(-c2cccs2)nc1Cn1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C16H14N4O3S/c1-8-13-10(3)23-19-14(13)16(21)20(18-8)7-11-9(2)22-15(17-11)12-5-4-6-24-12/h4-6H,7H2,1-3H3
InChIKeyVVSLWGCCOQLOBO-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.07
Rot. Bonds3

About 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one

3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 46291372) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID46291372
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1oc(-c2cccs2)nc1Cn1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C16H14N4O3S/c1-8-13-10(3)23-19-14(13)16(21)20(18-8)7-11-9(2)22-15(17-11)12-5-4-6-24-12/h4-6H,7H2,1-3H3
InChIKeyVVSLWGCCOQLOBO-UHFFFAOYSA-N
XLogP3.07
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one with MolForge

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Launch Full Analysis

Related Compounds

4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 17477397
5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 30295078
1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 99836538
1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one
CID 31522663
methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate
CID 154765152
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 26384790
(4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 97277452
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 30665563
4-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride
CID 154890069
6-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(3-methoxyphenyl)-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 46291330

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 46291372) is 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1oc(-c2cccs2)nc1Cn1nc(C)c2c(C)onc2c1=O.
What is the InChIKey of 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is VVSLWGCCOQLOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-8-13-10(3)23-19-14(13)16(21)20(18-8)7-11-9(2)22-15(17-11)12-5-4-6-24-12/h4-6H,7H2,1-3H3.
What are the key properties of 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 342.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 46291372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).