4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C19H16N4O3 — CID 4969808

IUPAC4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCC(C)(C)c1nc2c3c(-c4ccco4)c(-c4ccco4)oc3ncn2n1
InChIInChI=1S/C19H16N4O3/c1-19(2,3)18-21-16-14-13(11-6-4-8-24-11)15(12-7-5-9-25-12)26-17(14)20-10-23(16)22-18/h4-10H,1-3H3
InChIKeyVZLOANMFJLKGTR-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.69
Rot. Bonds2

About 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 4969808) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID4969808
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCC(C)(C)c1nc2c3c(-c4ccco4)c(-c4ccco4)oc3ncn2n1
InChIInChI=1S/C19H16N4O3/c1-19(2,3)18-21-16-14-13(11-6-4-8-24-11)15(12-7-5-9-25-12)26-17(14)20-10-23(16)22-18/h4-10H,1-3H3
InChIKeyVZLOANMFJLKGTR-UHFFFAOYSA-N
XLogP4.69
TPSA82.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium
CID 7644080
5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine
CID 4902274
5,6-bis(furan-2-yl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 4894519
5,6-bis(furan-2-yl)-N-pyridin-4-ylfuro[2,3-d]pyrimidin-4-amine
CID 4972133
4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine
CID 63868616
4-(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)aniline
CID 4975022
4-(furan-2-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 773036
2,3,5-tris(furan-2-yl)-4-iodofuran
CID 101139326
5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine
CID 58373549
4-(furan-2-yl)-13-methyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 4894076
N-[(11,12-diphenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(4-methoxyphenyl)ethanimine
CID 3795932
11-butyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene
CID 10493146

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 4969808) is 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is CC(C)(C)c1nc2c3c(-c4ccco4)c(-c4ccco4)oc3ncn2n1.
What is the InChIKey of 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is VZLOANMFJLKGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-19(2,3)18-21-16-14-13(11-6-4-8-24-11)15(12-7-5-9-25-12)26-17(14)20-10-23(16)22-18/h4-10H,1-3H3.
What are the key properties of 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 348.36 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-11,12-bis(furan-2-yl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 4969808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).