17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one

C30H16N4O2 — CID 101191283

IUPAC17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
SMILESO=c1c2cccc3c(-c4nnc(-c5cccc6ccccc56)o4)ccc(c32)c2nc3ccccc3n12
InChIInChI=1S/C30H16N4O2/c35-30-23-12-6-10-19-21(15-16-22(26(19)23)27-31-24-13-3-4-14-25(24)34(27)30)29-33-32-28(36-29)20-11-5-8-17-7-1-2-9-18(17)20/h1-16H
InChIKeyNNWXYEVBIYHJNZ-UHFFFAOYSA-N
MW464.48 g/mol
LogP6.46
Rot. Bonds2

About 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one

17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one (PubChem CID 101191283) has the molecular formula C30H16N4O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one.

Molecular Properties

Compound Name17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
PubChem CID101191283
Molecular FormulaC30H16N4O2
Molecular Weight464.48 g/mol
Exact Mass464.13
IUPAC Name17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
SMILESO=c1c2cccc3c(-c4nnc(-c5cccc6ccccc56)o4)ccc(c32)c2nc3ccccc3n12
InChIInChI=1S/C30H16N4O2/c35-30-23-12-6-10-19-21(15-16-22(26(19)23)27-31-24-13-3-4-14-25(24)34(27)30)29-33-32-28(36-29)20-11-5-8-17-7-1-2-9-18(17)20/h1-16H
InChIKeyNNWXYEVBIYHJNZ-UHFFFAOYSA-N
XLogP6.46
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.48
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one with MolForge

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Related Compounds

17-hydroxy-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 141341157
15-amino-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 3512510
11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxylic acid
CID 3467590
11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbaldehyde
CID 88895903
15-[12,13-bis(ethenyl)-15-oxo-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),2,4,6,8,10,12-heptaen-4-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 89286239
ethane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
CID 90702606
methane;propane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione
CID 157101386
15-(methylamino)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 4999170
8-(17-carboxy-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)naphthalene-1,4,5-tricarboxylic acid
CID 3103599
15,17-di(carbazol-9-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 121248140
15-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 27153965
22-oxa-10,17,27,34-tetrazadodecacyclo[23.14.1.14,8.02,23.03,21.05,39.010,18.011,16.026,34.028,33.036,40.019,41]hentetraconta-1(39),2(23),3(21),4,6,8(41),11,13,15,17,19,24,26,28,30,32,36(40),37-octadecaene-9,35-dione
CID 89336942

Frequently Asked Questions

What is the IUPAC name of 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
The IUPAC name of 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one (CID 101191283) is 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one.
What is the SMILES notation for 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
The canonical SMILES for 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one is O=c1c2cccc3c(-c4nnc(-c5cccc6ccccc56)o4)ccc(c32)c2nc3ccccc3n12.
What is the InChIKey of 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
The InChIKey is NNWXYEVBIYHJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N4O2/c35-30-23-12-6-10-19-21(15-16-22(26(19)23)27-31-24-13-3-4-14-25(24)34(27)30)29-33-32-28(36-29)20-11-5-8-17-7-1-2-9-18(17)20/h1-16H.
What are the key properties of 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one has a molecular weight of 464.48 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one is sourced from PubChem (CID 101191283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).