4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene

C13H12N4O2 — CID 135417218

IUPAC4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene
SMILESCc1cc(-c2nc3c4c(ncc3[nH]2)CCOC4)on1
InChIInChI=1S/C13H12N4O2/c1-7-4-11(19-17-7)13-15-10-5-14-9-2-3-18-6-8(9)12(10)16-13/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyRLSPUQQNWSOONF-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.99
Rot. Bonds1

About 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene

4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene (PubChem CID 135417218) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene
PubChem CID135417218
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene
SMILESCc1cc(-c2nc3c4c(ncc3[nH]2)CCOC4)on1
InChIInChI=1S/C13H12N4O2/c1-7-4-11(19-17-7)13-15-10-5-14-9-2-3-18-6-8(9)12(10)16-13/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyRLSPUQQNWSOONF-UHFFFAOYSA-N
XLogP1.99
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene with MolForge

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Related Compounds

S-8510
CID 135409387
2-(3-methylisoxazol-5-yl)-1H-imidazo[4,5-c]quinoline
CID 135417207
3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole
CID 135417206
5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
CID 135433823
3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135452014
5-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135490653
3-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135547060
3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135433769
3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135456681
5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
CID 135461696
5-(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
CID 135463647
3-ethyl-5-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135417231

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene?
The IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene (CID 135417218) is 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene.
What is the SMILES notation for 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene?
The canonical SMILES for 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene is Cc1cc(-c2nc3c4c(ncc3[nH]2)CCOC4)on1.
What is the InChIKey of 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene?
The InChIKey is RLSPUQQNWSOONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-7-4-11(19-17-7)13-15-10-5-14-9-2-3-18-6-8(9)12(10)16-13/h4-5H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene?
4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene has a molecular weight of 256.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene is sourced from PubChem (CID 135417218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).