N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine

C18H13BrN4O2 — CID 66577739

IUPACN-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCc1noc(-c2ccc(Br)cc2)c1Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H13BrN4O2/c1-11-15(16(25-23-11)12-7-9-14(19)10-8-12)20-18-22-21-17(24-18)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,22)
InChIKeyGDQMFPMJPIKGIQ-UHFFFAOYSA-N
MW397.23 g/mol
LogP5.21
Rot. Bonds4

About N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine

N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 66577739) has the molecular formula C18H13BrN4O2 and a molecular weight of 397.23 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID66577739
Molecular FormulaC18H13BrN4O2
Molecular Weight397.23 g/mol
Exact Mass396.02
IUPAC NameN-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCc1noc(-c2ccc(Br)cc2)c1Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H13BrN4O2/c1-11-15(16(25-23-11)12-7-9-14(19)10-8-12)20-18-22-21-17(24-18)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,22)
InChIKeyGDQMFPMJPIKGIQ-UHFFFAOYSA-N
XLogP5.21
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.23
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 52915193
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CID 66577849
CID 66577849
CID 66579240
CID 66579240
CID 66579252
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CID 66579302
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CID 66579337
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CID 66579346
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CID 66579430

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine (CID 66577739) is N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine is Cc1noc(-c2ccc(Br)cc2)c1Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is GDQMFPMJPIKGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2/c1-11-15(16(25-23-11)12-7-9-14(19)10-8-12)20-18-22-21-17(24-18)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,22).
What are the key properties of N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine?
N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 397.23 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66577739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).