CID 90056199

C19H19N3O3 — CID 90056199

IUPAC—
SMILESCOc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)c1
InChIInChI=1S/C19H19N3O3/c1-23-14-6-13(8-21-9-14)12-2-3-16-15(7-12)19(11-25-17(20)22-19)18(4-5-18)10-24-16/h2-3,6-9H,4-5,10-11H2,1H3,(H2,20,22)
InChIKeyZOGSWBUPTFGEHZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.47
Rot. Bonds2

About CID 90056199

CID 90056199 (PubChem CID 90056199) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol.

Molecular Properties

Compound NameCID 90056199
PubChem CID90056199
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name—
SMILESCOc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)c1
InChIInChI=1S/C19H19N3O3/c1-23-14-6-13(8-21-9-14)12-2-3-16-15(7-12)19(11-25-17(20)22-19)18(4-5-18)10-24-16/h2-3,6-9H,4-5,10-11H2,1H3,(H2,20,22)
InChIKeyZOGSWBUPTFGEHZ-UHFFFAOYSA-N
XLogP2.47
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Amg-8718
CID 45254510
(4s)-2'-(3,6-Dihydro-2h-Pyran-4-Yl)-4'-Fluoro-7'-(2-Fluoropyridin-3-Yl)spiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine
CID 45254900
(5s)-3-(5,6-Dihydro-2h-Pyran-3-Yl)-1-Fluoro-7-(2-Fluoropyridin-3-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 53465141
example 385 [US8883782]
CID 67436561
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(5-prop-1-ynyl-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 137348743
(4r,4a's,10a's)-7'-(5-Chloropyridin-3-Yl)-3',4',4a',10a'-Tetrahydro-1'h-Spiro[1,3-Oxazole-4,5'-Pyrano[3,4-B]chromen]-2-Amine
CID 67950044
(4r,4a's,10a'r)-8'-(2-Fluoropyridin-3-Yl)-4a'-Methyl-3',4',4a',10a'-Tetrahydro-2'h-Spiro[1,3-Oxazole-4,10'-Pyrano[3,2-B]chromen]-2-Amine
CID 67950186
(4r,4a'r,10a'r)-7'-(5-Chloropyridin-3-Yl)-3',4',4a',10a'-Tetrahydro-1'h-Spiro[1,3-Oxazole-4,5'-Pyrano[3,4-B]chromen]-2-Amine
CID 67950241
(4r,4a'r,10a's)-8'-(2-Fluoropyridin-3-Yl)-4a'-Methyl-3',4',4a',10a'-Tetrahydro-2'h-Spiro[1,3-Oxazole-4,10'-Pyrano[3,2-B]chromen]-2-Amine
CID 67971215
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 45254127
(4S)-3'-(2,2-dimethylpropoxy)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 45254130
(4S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-[(3-methyloxetan-3-yl)methoxy]spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 45254702

Frequently Asked Questions

What is the IUPAC name of CID 90056199?
The IUPAC name of CID 90056199 (CID 90056199) is not available.
What is the SMILES notation for CID 90056199?
The canonical SMILES for CID 90056199 is COc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)c1.
What is the InChIKey of CID 90056199?
The InChIKey is ZOGSWBUPTFGEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-23-14-6-13(8-21-9-14)12-2-3-16-15(7-12)19(11-25-17(20)22-19)18(4-5-18)10-24-16/h2-3,6-9H,4-5,10-11H2,1H3,(H2,20,22).
What are the key properties of CID 90056199?
CID 90056199 has a molecular weight of 337.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056199 is sourced from PubChem (CID 90056199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).