4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

C19H16N6O2 — CID 90395612

IUPAC4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3ccnc3)c12
InChIInChI=1S/C19H16N6O2/c1-10-16(11(2)27-24-10)13-6-14-12(7-15(13)26-3)17-18(23-14)21-8-22-19(17)25-5-4-20-9-25/h4-9H,1-3H3,(H,21,22,23)
InChIKeyRIDMLRBIZLZHIF-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.58
Rot. Bonds3

About 4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole

4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 90395612) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID90395612
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3ccnc3)c12
InChIInChI=1S/C19H16N6O2/c1-10-16(11(2)27-24-10)13-6-14-12(7-15(13)26-3)17-18(23-14)21-8-22-19(17)25-5-4-20-9-25/h4-9H,1-3H3,(H,21,22,23)
InChIKeyRIDMLRBIZLZHIF-UHFFFAOYSA-N
XLogP3.58
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 90395612) is 4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3ccnc3)c12.
What is the InChIKey of 4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is RIDMLRBIZLZHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-10-16(11(2)27-24-10)13-6-14-12(7-15(13)26-3)17-18(23-14)21-8-22-19(17)25-5-4-20-9-25/h4-9H,1-3H3,(H,21,22,23).
What are the key properties of 4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 360.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90395612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).