2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole

C98H88N14O19S4 — CID 157302994

IUPAC2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole
SMILESCC(=O)Nc1ccc2c(c1)c1cc3nc(C)oc3cc1n2C.Cc1nc2cc3c(cc2o1)[nH]c1ccc(SOOO)cc13.Cc1nc2cc3c(cc2o1)[nH]c1ccccc13.Cc1nc2cc3c4cc(N(CCCSOOO)CCCSOOO)ccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(CCCSOOO)c3cc2o1
InChIInChI=1S/C21H25N3O7S2.C17H15N3O2.C17H16N2O4S.C15H12N2O.C14H10N2O4S.C14H10N2O/c1-14-22-18-12-17-16-11-15(5-6-19(16)23(2)20(17)13-21(18)27-14)24(7-3-9-32-30-28-25)8-4-10-33-31-29-26;1-9(21)18-11-4-5-15-12(6-11)13-7-14-17(22-10(2)19-14)8-16(13)20(15)3;1-11-18-14-9-13-12-5-2-3-6-15(12)19(7-4-8-24-23-22-20)16(13)10-17(14)21-11;1-9-16-12-7-11-10-5-3-4-6-13(10)17(2)14(11)8-15(12)18-9;1-7-15-13-5-10-9-4-8(21-20-19-17)2-3-11(9)16-12(10)6-14(13)18-7;1-8-15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14(13)17-8/h5-6,11-13,25-26H,3-4,7-10H2,1-2H3;4-8H,1-3H3,(H,18,21);2-3,5-6,9-10,20H,4,7-8H2,1H3;3-8H,1-2H3;2-6,16-17H,1H3;2-7,16H,1H3
InChIKeyBCCUIVSSGTWFOB-UHFFFAOYSA-N
MW1894.13 g/mol
LogP25.70
Rot. Bonds23

About 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole

2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole (PubChem CID 157302994) has the molecular formula C98H88N14O19S4 and a molecular weight of 1894.13 g/mol. Its IUPAC name is 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole.

Molecular Properties

Compound Name2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole
PubChem CID157302994
Molecular FormulaC98H88N14O19S4
Molecular Weight1894.13 g/mol
Exact Mass1892.52
IUPAC Name2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole
SMILESCC(=O)Nc1ccc2c(c1)c1cc3nc(C)oc3cc1n2C.Cc1nc2cc3c(cc2o1)[nH]c1ccc(SOOO)cc13.Cc1nc2cc3c(cc2o1)[nH]c1ccccc13.Cc1nc2cc3c4cc(N(CCCSOOO)CCCSOOO)ccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(CCCSOOO)c3cc2o1
InChIInChI=1S/C21H25N3O7S2.C17H15N3O2.C17H16N2O4S.C15H12N2O.C14H10N2O4S.C14H10N2O/c1-14-22-18-12-17-16-11-15(5-6-19(16)23(2)20(17)13-21(18)27-14)24(7-3-9-32-30-28-25)8-4-10-33-31-29-26;1-9(21)18-11-4-5-15-12(6-11)13-7-14-17(22-10(2)19-14)8-16(13)20(15)3;1-11-18-14-9-13-12-5-2-3-6-15(12)19(7-4-8-24-23-22-20)16(13)10-17(14)21-11;1-9-16-12-7-11-10-5-3-4-6-13(10)17(2)14(11)8-15(12)18-9;1-7-15-13-5-10-9-4-8(21-20-19-17)2-3-11(9)16-12(10)6-14(13)18-7;1-8-15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14(13)17-8/h5-6,11-13,25-26H,3-4,7-10H2,1-2H3;4-8H,1-3H3,(H,18,21);2-3,5-6,9-10,20H,4,7-8H2,1H3;3-8H,1-2H3;2-6,16-17H,1H3;2-7,16H,1H3
InChIKeyBCCUIVSSGTWFOB-UHFFFAOYSA-N
XLogP25.70
TPSA394.58 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001894.13
LogP ≤ 525.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole?
The IUPAC name of 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole (CID 157302994) is 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole.
What is the SMILES notation for 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole?
The canonical SMILES for 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole is CC(=O)Nc1ccc2c(c1)c1cc3nc(C)oc3cc1n2C.Cc1nc2cc3c(cc2o1)[nH]c1ccc(SOOO)cc13.Cc1nc2cc3c(cc2o1)[nH]c1ccccc13.Cc1nc2cc3c4cc(N(CCCSOOO)CCCSOOO)ccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(CCCSOOO)c3cc2o1.
What is the InChIKey of 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole?
The InChIKey is BCCUIVSSGTWFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O7S2.C17H15N3O2.C17H16N2O4S.C15H12N2O.C14H10N2O4S.C14H10N2O/c1-14-22-18-12-17-16-11-15(5-6-19(16)23(2)20(17)13-21(18)27-14)24(7-3-9-32-30-28-25)8-4-10-33-31-29-26;1-9(21)18-11-4-5-15-12(6-11)13-7-14-17(22-10(2)19-14)8-16(13)20(15)3;1-11-18-14-9-13-12-5-2-3-6-15(12)19(7-4-8-24-23-22-20)16(13)10-17(14)21-11;1-9-16-12-7-11-10-5-3-4-6-13(10)17(2)14(11)8-15(12)18-9;1-7-15-13-5-10-9-4-8(21-20-19-17)2-3-11(9)16-12(10)6-14(13)18-7;1-8-15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14(13)17-8/h5-6,11-13,25-26H,3-4,7-10H2,1-2H3;4-8H,1-3H3,(H,18,21);2-3,5-6,9-10,20H,4,7-8H2,1H3;3-8H,1-2H3;2-6,16-17H,1H3;2-7,16H,1H3.
What are the key properties of 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole?
2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole has a molecular weight of 1894.13 g/mol, XLogP of 25.70, 23 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-N,N-bis[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazol-6-amine;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;N-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)acetamide;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole;2-methyl-9-[3-(trioxidanylsulfanyl)propyl]-[1,3]oxazolo[5,4-b]carbazole is sourced from PubChem (CID 157302994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).