3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole

C14H18N4O3S — CID 119102648

IUPAC3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCn2nc3c(c2C1)CCC3
InChIInChI=1S/C14H18N4O3S/c1-9-14(10(2)21-16-9)22(19,20)17-6-7-18-13(8-17)11-4-3-5-12(11)15-18/h3-8H2,1-2H3
InChIKeyRLRJWTPJQZDNSX-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.18
Rot. Bonds2

About 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole

3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole (PubChem CID 119102648) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole
PubChem CID119102648
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCn2nc3c(c2C1)CCC3
InChIInChI=1S/C14H18N4O3S/c1-9-14(10(2)21-16-9)22(19,20)17-6-7-18-13(8-17)11-4-3-5-12(11)15-18/h3-8H2,1-2H3
InChIKeyRLRJWTPJQZDNSX-UHFFFAOYSA-N
XLogP1.18
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole with MolForge

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Related Compounds

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
3,5-dimethyl-4-[(4-propan-2-yl-1,4-diazepan-1-yl)sulfonyl]-1,2-oxazole
CID 30038844
3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole
CID 110740099
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928158
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole
CID 53185454
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468
3,5-dimethyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 121053065
4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 31193670
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole (CID 119102648) is 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCn2nc3c(c2C1)CCC3.
What is the InChIKey of 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole?
The InChIKey is RLRJWTPJQZDNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9-14(10(2)21-16-9)22(19,20)17-6-7-18-13(8-17)11-4-3-5-12(11)15-18/h3-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole?
3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole has a molecular weight of 322.39 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole is sourced from PubChem (CID 119102648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).