3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole

C21H24N6O2 — CID 170951529

IUPAC3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole
SMILESCCn1cc2c(n1)-c1cc(OC)ccc1-n1cnc(C3=NC(C(C)C)ON3)c1C2
InChIInChI=1S/C21H24N6O2/c1-5-26-10-13-8-17-19(20-23-21(12(2)3)29-25-20)22-11-27(17)16-7-6-14(28-4)9-15(16)18(13)24-26/h6-7,9-12,21H,5,8H2,1-4H3,(H,23,25)
InChIKeyMBNCOIXQZMKHAI-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.93
Rot. Bonds4

About 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole

3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 170951529) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole
PubChem CID170951529
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole
SMILESCCn1cc2c(n1)-c1cc(OC)ccc1-n1cnc(C3=NC(C(C)C)ON3)c1C2
InChIInChI=1S/C21H24N6O2/c1-5-26-10-13-8-17-19(20-23-21(12(2)3)29-25-20)22-11-27(17)16-7-6-14(28-4)9-15(16)18(13)24-26/h6-7,9-12,21H,5,8H2,1-4H3,(H,23,25)
InChIKeyMBNCOIXQZMKHAI-UHFFFAOYSA-N
XLogP2.93
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(10-benzyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-3-tert-butyl-1,2,4-oxadiazole
CID 170951458
5-(methoxymethyl)-3-(15-methoxy-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-1,2,4-oxadiazole
CID 169216493
3-(15-chloro-10-ethyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 169216354
3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 170951542
2-(15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 170951384
2-(15-methoxy-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-4-(oxolan-3-yloxymethyl)-1,3-oxazole
CID 170951414
5-(15-methoxy-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-3-(4-methyloxan-4-yl)-1,2,4-oxadiazole
CID 170951543
5-[15-methoxy-10-(oxolan-3-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 169216508
(4R)-4-cyclohexa-2,4-dien-1-yl-2-(15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl)-4,5-dihydro-1,3-oxazole
CID 170951395
2-[15-methoxy-11-[(4-methoxyphenyl)methyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-5-yl]-5-methyl-1,3-oxazole
CID 170951403
15-methoxy-5-(1-phenylpyrazol-4-yl)-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaene
CID 169216312
5-(15-methyl-10-propan-2-yl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 170951540

Frequently Asked Questions

What is the IUPAC name of 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole (CID 170951529) is 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole is CCn1cc2c(n1)-c1cc(OC)ccc1-n1cnc(C3=NC(C(C)C)ON3)c1C2.
What is the InChIKey of 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is MBNCOIXQZMKHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-5-26-10-13-8-17-19(20-23-21(12(2)3)29-25-20)22-11-27(17)16-7-6-14(28-4)9-15(16)18(13)24-26/h6-7,9-12,21H,5,8H2,1-4H3,(H,23,25).
What are the key properties of 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 392.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-ethyl-15-methoxy-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 170951529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).