chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole

C23H20Cl2N6O2 — CID 169216290

IUPACchlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole
SMILESCOCc1nnc2n1Cc1c(C3=NCCO3)ncn1-c1ccc(Cl)cc1-2.Clc1ccccc1
InChIInChI=1S/C17H15ClN6O2.C6H5Cl/c1-25-8-14-21-22-16-11-6-10(18)2-3-12(11)24-9-20-15(13(24)7-23(14)16)17-19-4-5-26-17;7-6-4-2-1-3-5-6/h2-3,6,9H,4-5,7-8H2,1H3;1-5H
InChIKeySBHJNYBMQBCEMK-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.41
Rot. Bonds3

About chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole

chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole (PubChem CID 169216290) has the molecular formula C23H20Cl2N6O2 and a molecular weight of 483.36 g/mol. Its IUPAC name is chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Namechlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole
PubChem CID169216290
Molecular FormulaC23H20Cl2N6O2
Molecular Weight483.36 g/mol
Exact Mass482.10
IUPAC Namechlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole
SMILESCOCc1nnc2n1Cc1c(C3=NCCO3)ncn1-c1ccc(Cl)cc1-2.Clc1ccccc1
InChIInChI=1S/C17H15ClN6O2.C6H5Cl/c1-25-8-14-21-22-16-11-6-10(18)2-3-12(11)24-9-20-15(13(24)7-23(14)16)17-19-4-5-26-17;7-6-4-2-1-3-5-6/h2-3,6,9H,4-5,7-8H2,1H3;1-5H
InChIKeySBHJNYBMQBCEMK-UHFFFAOYSA-N
XLogP4.41
TPSA79.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole?
The IUPAC name of chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole (CID 169216290) is chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole is COCc1nnc2n1Cc1c(C3=NCCO3)ncn1-c1ccc(Cl)cc1-2.Clc1ccccc1.
What is the InChIKey of chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole?
The InChIKey is SBHJNYBMQBCEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2.C6H5Cl/c1-25-8-14-21-22-16-11-6-10(18)2-3-12(11)24-9-20-15(13(24)7-23(14)16)17-19-4-5-26-17;7-6-4-2-1-3-5-6/h2-3,6,9H,4-5,7-8H2,1H3;1-5H.
What are the key properties of chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole?
chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole has a molecular weight of 483.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;2-[15-chloro-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]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 169216290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).