1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C66H87N15O12S3 — CID 167667142

IUPAC1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCN(C)CCc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2
InChIInChI=1S/C23H31N5O4S.C22H29N5O4S.C21H27N5O4S/c1-27(2)12-10-19-24-21(22-28(19)11-5-13-32-22)33(30,31)26-23(29)25-20-17-8-3-6-15(17)14-16-7-4-9-18(16)20;1-26(2)13-18-23-20(21-27(18)10-5-11-31-21)32(29,30)25-22(28)24-19-16-8-3-6-14(16)12-15-7-4-9-17(15)19;1-25(2)21-23-18(19-26(21)10-5-11-30-19)31(28,29)24-20(27)22-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17/h14H,3-13H2,1-2H3,(H2,25,26,29);12H,3-11,13H2,1-2H3,(H2,24,25,28);12H,3-11H2,1-2H3,(H2,22,24,27)
InChIKeySUNBFZZGQQYFKX-UHFFFAOYSA-N
MW1378.72 g/mol
LogP6.69
Rot. Bonds15

About 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 167667142) has the molecular formula C66H87N15O12S3 and a molecular weight of 1378.72 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID167667142
Molecular FormulaC66H87N15O12S3
Molecular Weight1378.72 g/mol
Exact Mass1377.58
IUPAC Name1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCN(C)CCc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2
InChIInChI=1S/C23H31N5O4S.C22H29N5O4S.C21H27N5O4S/c1-27(2)12-10-19-24-21(22-28(19)11-5-13-32-22)33(30,31)26-23(29)25-20-17-8-3-6-15(17)14-16-7-4-9-18(16)20;1-26(2)13-18-23-20(21-27(18)10-5-11-31-21)32(29,30)25-22(28)24-19-16-8-3-6-14(16)12-15-7-4-9-17(15)19;1-25(2)21-23-18(19-26(21)10-5-11-30-19)31(28,29)24-20(27)22-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17/h14H,3-13H2,1-2H3,(H2,25,26,29);12H,3-11,13H2,1-2H3,(H2,24,25,28);12H,3-11H2,1-2H3,(H2,22,24,27)
InChIKeySUNBFZZGQQYFKX-UHFFFAOYSA-N
XLogP6.69
TPSA316.68 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001378.72
LogP ≤ 56.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 167667142) is 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CN(C)CCc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.
What is the InChIKey of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is SUNBFZZGQQYFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S.C22H29N5O4S.C21H27N5O4S/c1-27(2)12-10-19-24-21(22-28(19)11-5-13-32-22)33(30,31)26-23(29)25-20-17-8-3-6-15(17)14-16-7-4-9-18(16)20;1-26(2)13-18-23-20(21-27(18)10-5-11-31-21)32(29,30)25-22(28)24-19-16-8-3-6-14(16)12-15-7-4-9-17(15)19;1-25(2)21-23-18(19-26(21)10-5-11-30-19)31(28,29)24-20(27)22-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17/h14H,3-13H2,1-2H3,(H2,25,26,29);12H,3-11,13H2,1-2H3,(H2,24,25,28);12H,3-11H2,1-2H3,(H2,22,24,27).
What are the key properties of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 1378.72 g/mol, XLogP of 6.69, 15 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 167667142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).