10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene

C24H15NO — CID 134436853

IUPAC10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene
SMILESC1=c2c(n3c4ccc5oc6ccccc6c5c4c4cccc2c43)=CCC1
InChIInChI=1S/C24H15NO/c1-3-10-18-14(6-1)15-8-5-9-17-22-19(25(18)24(15)17)12-13-21-23(22)16-7-2-4-11-20(16)26-21/h2,4-13H,1,3H2
InChIKeyMAHWLRQWMRGVGQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.94
Rot. Bonds

About 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene

10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene (PubChem CID 134436853) has the molecular formula C24H15NO and a molecular weight of 333.39 g/mol. Its IUPAC name is 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene.

Molecular Properties

Compound Name10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene
PubChem CID134436853
Molecular FormulaC24H15NO
Molecular Weight333.39 g/mol
Exact Mass333.12
IUPAC Name10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene
SMILESC1=c2c(n3c4ccc5oc6ccccc6c5c4c4cccc2c43)=CCC1
InChIInChI=1S/C24H15NO/c1-3-10-18-14(6-1)15-8-5-9-17-22-19(25(18)24(15)17)12-13-21-23(22)16-7-2-4-11-20(16)26-21/h2,4-13H,1,3H2
InChIKeyMAHWLRQWMRGVGQ-UHFFFAOYSA-N
XLogP4.94
TPSA17.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene with MolForge

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Related Compounds

3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene
CID 163579719
6,32-dioxa-1-azadecacyclo[21.13.1.02,14.05,13.07,12.015,37.016,21.024,36.025,33.026,31]heptatriaconta-2(14),3,5(13),7,9,11,15(37),16,18,20,22,24(36),25(33),26,28,30,34-heptadecaene
CID 146376238
12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376489
6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
CID 129092434
19-(4-tert-butyl-2-pyridinyl)-10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16(21),17,19,22(26),23-dodecaene
CID 164803201
12-phenyl-26-oxa-2,12,21-triazaundecacyclo[19.17.1.12,16.03,15.05,13.06,11.022,34.025,33.027,32.035,39.020,40]tetraconta-1(38),3(15),4,6,8,10,13,16(40),17,19,22(34),23,25(33),27,29,31,35(39),36-octadecaene
CID 171595274
9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;10,32-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),11,13,15,19,21,23(46),25,28(40),29,31(39),33,35,37,41,43-henicosaene;14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9,11,13,16,19,21,23(46),25,28(40),29,31,33,35,38,41,43-henicosaene;16,38-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
CID 157361153
14-ethyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 90350894
14-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 67952738
15,24-diphenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126679108
10-phenyl-34-oxa-1,10,20-triazaundecacyclo[19.17.1.12,13.03,11.04,9.014,19.025,39.026,38.027,35.028,33.020,40]tetraconta-2(40),3(11),4,6,8,12,14,16,18,21,23,25(39),26(38),27(35),28,30,32,36-octadecaene
CID 171595288
[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenyl-6,7-dihydrocarbazol-2-yl)silane
CID 165031669

Frequently Asked Questions

What is the IUPAC name of 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene?
The IUPAC name of 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene (CID 134436853) is 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene.
What is the SMILES notation for 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene?
The canonical SMILES for 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene is C1=c2c(n3c4ccc5oc6ccccc6c5c4c4cccc2c43)=CCC1.
What is the InChIKey of 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene?
The InChIKey is MAHWLRQWMRGVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO/c1-3-10-18-14(6-1)15-8-5-9-17-22-19(25(18)24(15)17)12-13-21-23(22)16-7-2-4-11-20(16)26-21/h2,4-13H,1,3H2.
What are the key properties of 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene?
10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene has a molecular weight of 333.39 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene is sourced from PubChem (CID 134436853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).