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

C22H24N6O — CID 170951540

IUPAC5-(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
SMILESCc1ccc2c(c1)-c1nn(C(C)C)cc1Cc1c(-c3nc(C(C)C)no3)ncn1-2
InChIInChI=1S/C22H24N6O/c1-12(2)21-24-22(29-26-21)20-18-9-15-10-28(13(3)4)25-19(15)16-8-14(5)6-7-17(16)27(18)11-23-20/h6-8,10-13H,9H2,1-5H3
InChIKeyZNEWUYCGQXYBKH-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.70
Rot. Bonds3

About 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

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 (PubChem CID 170951540) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID170951540
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name5-(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
SMILESCc1ccc2c(c1)-c1nn(C(C)C)cc1Cc1c(-c3nc(C(C)C)no3)ncn1-2
InChIInChI=1S/C22H24N6O/c1-12(2)21-24-22(29-26-21)20-18-9-15-10-28(13(3)4)25-19(15)16-8-14(5)6-7-17(16)27(18)11-23-20/h6-8,10-13H,9H2,1-5H3
InChIKeyZNEWUYCGQXYBKH-UHFFFAOYSA-N
XLogP4.70
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

5-(15-chloro-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)-1,2,4-oxadiazol-3-one
CID 170951301
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
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-[15-chloro-10-[2-[15-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,10,11-triaza-4-azoniatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8(12),9,14,16-heptaen-4-yl]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]-3-propan-2-yl-1,2,4-oxadiazole
CID 170951523
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
7-fluoro-5-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 14590417
5-(5-benzyl-16-ethynyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl)-3-propan-2-yl-1,2,4-oxadiazole;methane
CID 142401637
4-(chloromethyl)-2-(15-chloro-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)-1,3-oxazole
CID 170951373
piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
CID 22912973
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-methyl-5-[15-methyl-9-(phenoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-1,2,4-oxadiazole
CID 126497601
(6R)-6-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125126731

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)-c1nn(C(C)C)cc1Cc1c(-c3nc(C(C)C)no3)ncn1-2.
What is the InChIKey of 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?
The InChIKey is ZNEWUYCGQXYBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-12(2)21-24-22(29-26-21)20-18-9-15-10-28(13(3)4)25-19(15)16-8-14(5)6-7-17(16)27(18)11-23-20/h6-8,10-13H,9H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 388.48 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170951540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).