1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea

C17H18N4O4S — CID 166572745

IUPAC1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea
SMILESO=C(Nc1c2c(cc3c1CC3)CC2)NS(=O)(=O)c1cc2n(n1)CCOC2
InChIInChI=1S/C17H18N4O4S/c22-17(18-16-13-3-1-10(13)7-11-2-4-14(11)16)20-26(23,24)15-8-12-9-25-6-5-21(12)19-15/h7-8H,1-6,9H2,(H2,18,20,22)
InChIKeyILQJGOPBNRKOQW-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.12
Rot. Bonds3

About 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea

1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea (PubChem CID 166572745) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea
PubChem CID166572745
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea
SMILESO=C(Nc1c2c(cc3c1CC3)CC2)NS(=O)(=O)c1cc2n(n1)CCOC2
InChIInChI=1S/C17H18N4O4S/c22-17(18-16-13-3-1-10(13)7-11-2-4-14(11)16)20-26(23,24)15-8-12-9-25-6-5-21(12)19-15/h7-8H,1-6,9H2,(H2,18,20,22)
InChIKeyILQJGOPBNRKOQW-UHFFFAOYSA-N
XLogP1.12
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea with MolForge

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Related Compounds

1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 169042478
CID 175753184
CID 175753184
1-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154697945
CID 175825067
CID 175825067
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea
CID 142588060
CID 175753183
CID 175753183
1-(2,5-dimethyltriazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 164724230
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea
CID 122480744
1-(3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135241185
1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403949
1-[1-cyclopropyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 159265974
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea
CID 151762647

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea (CID 166572745) is 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea is O=C(Nc1c2c(cc3c1CC3)CC2)NS(=O)(=O)c1cc2n(n1)CCOC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea?
The InChIKey is ILQJGOPBNRKOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c22-17(18-16-13-3-1-10(13)7-11-2-4-14(11)16)20-26(23,24)15-8-12-9-25-6-5-21(12)19-15/h7-8H,1-6,9H2,(H2,18,20,22).
What are the key properties of 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea?
1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea has a molecular weight of 374.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea is sourced from PubChem (CID 166572745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).