5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole

C15H13BrN6O2 — CID 90715865

IUPAC5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole
SMILESCOCN1Cn2cnc(-c3ncc(-c4ccc(Br)cc4)o3)c2N=N1
InChIInChI=1S/C15H13BrN6O2/c1-23-9-22-8-21-7-18-13(14(21)19-20-22)15-17-6-12(24-15)10-2-4-11(16)5-3-10/h2-7H,8-9H2,1H3
InChIKeyCBFILRNILMYXOW-UHFFFAOYSA-N
MW389.21 g/mol
LogP3.84
Rot. Bonds4

About 5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole

5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole (PubChem CID 90715865) has the molecular formula C15H13BrN6O2 and a molecular weight of 389.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole
PubChem CID90715865
Molecular FormulaC15H13BrN6O2
Molecular Weight389.21 g/mol
Exact Mass388.03
IUPAC Name5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole
SMILESCOCN1Cn2cnc(-c3ncc(-c4ccc(Br)cc4)o3)c2N=N1
InChIInChI=1S/C15H13BrN6O2/c1-23-9-22-8-21-7-18-13(14(21)19-20-22)15-17-6-12(24-15)10-2-4-11(16)5-3-10/h2-7H,8-9H2,1H3
InChIKeyCBFILRNILMYXOW-UHFFFAOYSA-N
XLogP3.84
TPSA81.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole?
The IUPAC name of 5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole (CID 90715865) is 5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole is COCN1Cn2cnc(-c3ncc(-c4ccc(Br)cc4)o3)c2N=N1.
What is the InChIKey of 5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole?
The InChIKey is CBFILRNILMYXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN6O2/c1-23-9-22-8-21-7-18-13(14(21)19-20-22)15-17-6-12(24-15)10-2-4-11(16)5-3-10/h2-7H,8-9H2,1H3.
What are the key properties of 5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole?
5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole has a molecular weight of 389.21 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-[3-(methoxymethyl)-4H-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]-1,3-oxazole is sourced from PubChem (CID 90715865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).