(7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one

C18H15N5O2 — CID 10359467

IUPAC(7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one
SMILESO=C1CC[C@H]2c3c(-c4noc(C5CC5)n4)ncn3-c3ccccc3N12
InChIInChI=1S/C18H15N5O2/c24-14-8-7-13-16-15(17-20-18(25-21-17)10-5-6-10)19-9-22(16)11-3-1-2-4-12(11)23(13)14/h1-4,9-10,13H,5-8H2/t13-/m0/s1
InChIKeyKIGZWNHARYMTNM-ZDUSSCGKSA-N
MW333.35 g/mol
LogP2.98
Rot. Bonds2

About (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one

(7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one (PubChem CID 10359467) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one.

Molecular Properties

Compound Name(7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one
PubChem CID10359467
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name(7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one
SMILESO=C1CC[C@H]2c3c(-c4noc(C5CC5)n4)ncn3-c3ccccc3N12
InChIInChI=1S/C18H15N5O2/c24-14-8-7-13-16-15(17-20-18(25-21-17)10-5-6-10)19-9-22(16)11-3-1-2-4-12(11)23(13)14/h1-4,9-10,13H,5-8H2/t13-/m0/s1
InChIKeyKIGZWNHARYMTNM-ZDUSSCGKSA-N
XLogP2.98
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one?
The IUPAC name of (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one (CID 10359467) is (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one.
What is the SMILES notation for (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one?
The canonical SMILES for (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one is O=C1CC[C@H]2c3c(-c4noc(C5CC5)n4)ncn3-c3ccccc3N12.
What is the InChIKey of (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one?
The InChIKey is KIGZWNHARYMTNM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H15N5O2/c24-14-8-7-13-16-15(17-20-18(25-21-17)10-5-6-10)19-9-22(16)11-3-1-2-4-12(11)23(13)14/h1-4,9-10,13H,5-8H2/t13-/m0/s1.
What are the key properties of (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one?
(7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one has a molecular weight of 333.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one is sourced from PubChem (CID 10359467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).