[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid

C17H12N6O3 — CID 90146229

IUPAC[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid
SMILESNc1nc2ccccc2nc1-c1nnc(-c2ccccc2NC(=O)O)o1
InChIInChI=1S/C17H12N6O3/c18-14-13(19-11-7-3-4-8-12(11)20-14)16-23-22-15(26-16)9-5-1-2-6-10(9)21-17(24)25/h1-8,21H,(H2,18,20)(H,24,25)
InChIKeyKYFGMUXFEGSCGH-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.02
Rot. Bonds3

About [2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid

[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid (PubChem CID 90146229) has the molecular formula C17H12N6O3 and a molecular weight of 348.32 g/mol. Its IUPAC name is [2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid
PubChem CID90146229
Molecular FormulaC17H12N6O3
Molecular Weight348.32 g/mol
Exact Mass348.10
IUPAC Name[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid
SMILESNc1nc2ccccc2nc1-c1nnc(-c2ccccc2NC(=O)O)o1
InChIInChI=1S/C17H12N6O3/c18-14-13(19-11-7-3-4-8-12(11)20-14)16-23-22-15(26-16)9-5-1-2-6-10(9)21-17(24)25/h1-8,21H,(H2,18,20)(H,24,25)
InChIKeyKYFGMUXFEGSCGH-UHFFFAOYSA-N
XLogP3.02
TPSA140.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid?
The IUPAC name of [2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid (CID 90146229) is [2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid.
What is the SMILES notation for [2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid?
The canonical SMILES for [2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid is Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2NC(=O)O)o1.
What is the InChIKey of [2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid?
The InChIKey is KYFGMUXFEGSCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O3/c18-14-13(19-11-7-3-4-8-12(11)20-14)16-23-22-15(26-16)9-5-1-2-6-10(9)21-17(24)25/h1-8,21H,(H2,18,20)(H,24,25).
What are the key properties of [2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid?
[2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid has a molecular weight of 348.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamic acid is sourced from PubChem (CID 90146229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).