5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole

C17H13N7O — CID 19784290

IUPAC5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole
SMILESCc1nc2c3ccccc3n3cnc(-c4noc(C5CC5)n4)c3n2n1
InChIInChI=1S/C17H13N7O/c1-9-19-15-11-4-2-3-5-12(11)23-8-18-13(17(23)24(15)21-9)14-20-16(25-22-14)10-6-7-10/h2-5,8,10H,6-7H2,1H3
InChIKeyYKUFKXJZKRJXBC-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.77
Rot. Bonds2

About 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole

5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole (PubChem CID 19784290) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole
PubChem CID19784290
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole
SMILESCc1nc2c3ccccc3n3cnc(-c4noc(C5CC5)n4)c3n2n1
InChIInChI=1S/C17H13N7O/c1-9-19-15-11-4-2-3-5-12(11)23-8-18-13(17(23)24(15)21-9)14-20-16(25-22-14)10-6-7-10/h2-5,8,10H,6-7H2,1H3
InChIKeyYKUFKXJZKRJXBC-UHFFFAOYSA-N
XLogP2.77
TPSA86.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(15-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)-5-cyclopropyl-1,2,4-oxadiazole
CID 150137014
10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one
CID 15085566
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-morpholin-4-ylimidazo[1,5-a]quinoline-5-carboxamide
CID 21220817
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one
CID 19980314
N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 115531494
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10519853
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one
CID 15268199
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 60811920
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methoxy-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 15268196
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide
CID 126802572
3-(14-chloro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole
CID 10316796
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889714

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole (CID 19784290) is 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole is Cc1nc2c3ccccc3n3cnc(-c4noc(C5CC5)n4)c3n2n1.
What is the InChIKey of 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole?
The InChIKey is YKUFKXJZKRJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c1-9-19-15-11-4-2-3-5-12(11)23-8-18-13(17(23)24(15)21-9)14-20-16(25-22-14)10-6-7-10/h2-5,8,10H,6-7H2,1H3.
What are the key properties of 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole has a molecular weight of 331.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 19784290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).