4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole

C14H10N4O4 — CID 141302188

IUPAC4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole
SMILESCOc1cc(-c2oncc2-c2cncnc2)cc2c1ONO2
InChIInChI=1S/C14H10N4O4/c1-19-11-2-8(3-12-14(11)22-18-20-12)13-10(6-17-21-13)9-4-15-7-16-5-9/h2-7,18H,1H3
InChIKeyFPILTNJGPAYGMQ-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.00
Rot. Bonds3

About 4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole

4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole (PubChem CID 141302188) has the molecular formula C14H10N4O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole.

Molecular Properties

Compound Name4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole
PubChem CID141302188
Molecular FormulaC14H10N4O4
Molecular Weight298.26 g/mol
Exact Mass298.07
IUPAC Name4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole
SMILESCOc1cc(-c2oncc2-c2cncnc2)cc2c1ONO2
InChIInChI=1S/C14H10N4O4/c1-19-11-2-8(3-12-14(11)22-18-20-12)13-10(6-17-21-13)9-4-15-7-16-5-9/h2-7,18H,1H3
InChIKeyFPILTNJGPAYGMQ-UHFFFAOYSA-N
XLogP2.00
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole
CID 58178077
4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole
CID 141302144
5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole
CID 58178258
4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline
CID 58712172
5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole
CID 58178270
5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
CID 58178317
diamino [2,3-dimethoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl] phosphate
CID 163743478
disodium;[2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]sulfanyl-dioxido-oxo-λ5-phosphane
CID 157462411
4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 151726229
4-(2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 130439183
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-5-phenyl-1,2-oxazole
CID 91973332
4,5-bis(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazole
CID 10767664

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole?
The IUPAC name of 4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole (CID 141302188) is 4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole.
What is the SMILES notation for 4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole?
The canonical SMILES for 4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole is COc1cc(-c2oncc2-c2cncnc2)cc2c1ONO2.
What is the InChIKey of 4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole?
The InChIKey is FPILTNJGPAYGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4/c1-19-11-2-8(3-12-14(11)22-18-20-12)13-10(6-17-21-13)9-4-15-7-16-5-9/h2-7,18H,1H3.
What are the key properties of 4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole?
4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole has a molecular weight of 298.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole is sourced from PubChem (CID 141302188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).