[15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol

C19H19N7O2 — CID 126497659

IUPAC[15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol
SMILESCc1ccc2c(c1)-c1nnc(CO)n1Cc1c(-c3noc(C(C)C)n3)ncn1-2
InChIInChI=1S/C19H19N7O2/c1-10(2)19-21-17(24-28-19)16-14-7-25-15(8-27)22-23-18(25)12-6-11(3)4-5-13(12)26(14)9-20-16/h4-6,9-10,27H,7-8H2,1-3H3
InChIKeyFFDYHZPJGITJSG-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.47
Rot. Bonds3

About [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol

[15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol (PubChem CID 126497659) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol.

Molecular Properties

Compound Name[15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol
PubChem CID126497659
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name[15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol
SMILESCc1ccc2c(c1)-c1nnc(CO)n1Cc1c(-c3noc(C(C)C)n3)ncn1-2
InChIInChI=1S/C19H19N7O2/c1-10(2)19-21-17(24-28-19)16-14-7-25-15(8-27)22-23-18(25)12-6-11(3)4-5-13(12)26(14)9-20-16/h4-6,9-10,27H,7-8H2,1-3H3
InChIKeyFFDYHZPJGITJSG-UHFFFAOYSA-N
XLogP2.47
TPSA107.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol?
The IUPAC name of [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol (CID 126497659) is [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol.
What is the SMILES notation for [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol?
The canonical SMILES for [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol is Cc1ccc2c(c1)-c1nnc(CO)n1Cc1c(-c3noc(C(C)C)n3)ncn1-2.
What is the InChIKey of [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol?
The InChIKey is FFDYHZPJGITJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-10(2)19-21-17(24-28-19)16-14-7-25-15(8-27)22-23-18(25)12-6-11(3)4-5-13(12)26(14)9-20-16/h4-6,9-10,27H,7-8H2,1-3H3.
What are the key properties of [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol?
[15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol has a molecular weight of 377.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [15-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-9-yl]methanol is sourced from PubChem (CID 126497659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).