5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole

C18H13ClN6O — CID 10067376

IUPAC5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole
SMILESClc1ccc2c(c1)-c1nccn1Cc1c(-c3nc(C4CC4)no3)ncn1-2
InChIInChI=1S/C18H13ClN6O/c19-11-3-4-13-12(7-11)17-20-5-6-24(17)8-14-15(21-9-25(13)14)18-22-16(23-26-18)10-1-2-10/h3-7,9-10H,1-2,8H2
InChIKeyNUPVCIGMPQGNFS-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.68
Rot. Bonds2

About 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole

5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 10067376) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole
PubChem CID10067376
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC Name5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole
SMILESClc1ccc2c(c1)-c1nccn1Cc1c(-c3nc(C4CC4)no3)ncn1-2
InChIInChI=1S/C18H13ClN6O/c19-11-3-4-13-12(7-11)17-20-5-6-24(17)8-14-15(21-9-25(13)14)18-22-16(23-26-18)10-1-2-10/h3-7,9-10H,1-2,8H2
InChIKeyNUPVCIGMPQGNFS-UHFFFAOYSA-N
XLogP3.68
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 21291960
(6S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125126016
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
(4-chlorophenyl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018526
5-(13-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole
CID 19902146
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63259990
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 53353035
[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone
CID 22912904
3-cyclopropyl-5-imidazo[1,5-a]quinolin-3-yl-1,2,4-oxadiazole
CID 67925365
4-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401634
3-[8-chloro-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 14590489
5-[15-bromo-9-(methoxymethyl)-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]-3-methyl-1,2,4-oxadiazole
CID 135228234

Frequently Asked Questions

What is the IUPAC name of 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole (CID 10067376) is 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole is Clc1ccc2c(c1)-c1nccn1Cc1c(-c3nc(C4CC4)no3)ncn1-2.
What is the InChIKey of 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is NUPVCIGMPQGNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c19-11-3-4-13-12(7-11)17-20-5-6-24(17)8-14-15(21-9-25(13)14)18-22-16(23-26-18)10-1-2-10/h3-7,9-10H,1-2,8H2.
What are the key properties of 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole?
5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 364.80 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 10067376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).