20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

C17H10N2O — CID 172676242

IUPAC20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
SMILESc1ccc2c(c1)oc1c2ccc2c1nc1ccccn12
InChIInChI=1S/C17H10N2O/c1-2-6-14-11(5-1)12-8-9-13-16(17(12)20-14)18-15-7-3-4-10-19(13)15/h1-10H
InChIKeyJRKAAYAQDMHZQN-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.39
Rot. Bonds

About 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (PubChem CID 172676242) has the molecular formula C17H10N2O and a molecular weight of 258.28 g/mol. Its IUPAC name is 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
PubChem CID172676242
Molecular FormulaC17H10N2O
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
SMILESc1ccc2c(c1)oc1c2ccc2c1nc1ccccn12
InChIInChI=1S/C17H10N2O/c1-2-6-14-11(5-1)12-8-9-13-16(17(12)20-14)18-15-7-3-4-10-19(13)15/h1-10H
InChIKeyJRKAAYAQDMHZQN-UHFFFAOYSA-N
XLogP4.39
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene with MolForge

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Related Compounds

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1-(2-Benzofuranyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 54580415
2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-benzoxazol-4-amine
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CID 70691516
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CID 70802910
1-[(3S)-4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-methylpiperazin-1-yl]-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 70802913
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CID 118728958
1-[4-[3-Methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-2-[6-(trifluoromethyl)benzimidazol-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The IUPAC name of 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (CID 172676242) is 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.
What is the SMILES notation for 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The canonical SMILES for 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is c1ccc2c(c1)oc1c2ccc2c1nc1ccccn12.
What is the InChIKey of 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The InChIKey is JRKAAYAQDMHZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O/c1-2-6-14-11(5-1)12-8-9-13-16(17(12)20-14)18-15-7-3-4-10-19(13)15/h1-10H.
What are the key properties of 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene has a molecular weight of 258.28 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-oxa-3,9-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is sourced from PubChem (CID 172676242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).