(7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one

C17H14ClN5O2 — CID 21154065

IUPAC(7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
SMILESCc1nnc(-c2ncn3c2[C@@H]2CCCN2C(=O)c2c(Cl)cccc2-3)o1
InChIInChI=1S/C17H14ClN5O2/c1-9-20-21-16(25-9)14-15-12-6-3-7-22(12)17(24)13-10(18)4-2-5-11(13)23(15)8-19-14/h2,4-5,8,12H,3,6-7H2,1H3/t12-/m0/s1
InChIKeyGCMQXAVMGIOKNW-LBPRGKRZSA-N
MW355.79 g/mol
LogP3.17
Rot. Bonds1

About (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one

(7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one (PubChem CID 21154065) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one.

Molecular Properties

Compound Name(7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
PubChem CID21154065
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name(7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
SMILESCc1nnc(-c2ncn3c2[C@@H]2CCCN2C(=O)c2c(Cl)cccc2-3)o1
InChIInChI=1S/C17H14ClN5O2/c1-9-20-21-16(25-9)14-15-12-6-3-7-22(12)17(24)13-10(18)4-2-5-11(13)23(15)8-19-14/h2,4-5,8,12H,3,6-7H2,1H3/t12-/m0/s1
InChIKeyGCMQXAVMGIOKNW-LBPRGKRZSA-N
XLogP3.17
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one?
The IUPAC name of (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one (CID 21154065) is (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one.
What is the SMILES notation for (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one?
The canonical SMILES for (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one is Cc1nnc(-c2ncn3c2[C@@H]2CCCN2C(=O)c2c(Cl)cccc2-3)o1.
What is the InChIKey of (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one?
The InChIKey is GCMQXAVMGIOKNW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-9-20-21-16(25-9)14-15-12-6-3-7-22(12)17(24)13-10(18)4-2-5-11(13)23(15)8-19-14/h2,4-5,8,12H,3,6-7H2,1H3/t12-/m0/s1.
What are the key properties of (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one?
(7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one has a molecular weight of 355.79 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one is sourced from PubChem (CID 21154065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).