5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C18H13BrN4O3 — CID 78803004

IUPAC5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(COc3ncnc4ccc(Br)cc34)n2)cc1
InChIInChI=1S/C18H13BrN4O3/c1-24-13-5-2-11(3-6-13)17-22-16(26-23-17)9-25-18-14-8-12(19)4-7-15(14)20-10-21-18/h2-8,10H,9H2,1H3
InChIKeyCMWNUZNRIINTRQ-UHFFFAOYSA-N
MW413.23 g/mol
LogP4.03
Rot. Bonds5

About 5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 78803004) has the molecular formula C18H13BrN4O3 and a molecular weight of 413.23 g/mol. Its IUPAC name is 5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID78803004
Molecular FormulaC18H13BrN4O3
Molecular Weight413.23 g/mol
Exact Mass412.02
IUPAC Name5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(COc3ncnc4ccc(Br)cc34)n2)cc1
InChIInChI=1S/C18H13BrN4O3/c1-24-13-5-2-11(3-6-13)17-22-16(26-23-17)9-25-18-14-8-12(19)4-7-15(14)20-10-21-18/h2-8,10H,9H2,1H3
InChIKeyCMWNUZNRIINTRQ-UHFFFAOYSA-N
XLogP4.03
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 30823965
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-2-methylbenzoate
CID 51047397
5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-(4-bromophenyl)-1,2,4-oxadiazole
CID 4038085
5-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 50838821
4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 67718067
5-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53141067
6-bromo-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]quinazolin-4-amine
CID 21002527
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
5-bromo-2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595328
5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595326
5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 24670741

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 78803004) is 5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(COc3ncnc4ccc(Br)cc34)n2)cc1.
What is the InChIKey of 5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is CMWNUZNRIINTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O3/c1-24-13-5-2-11(3-6-13)17-22-16(26-23-17)9-25-18-14-8-12(19)4-7-15(14)20-10-21-18/h2-8,10H,9H2,1H3.
What are the key properties of 5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 413.23 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 78803004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).