4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine

C11H7ClN4O — CID 79557790

IUPAC4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc3nccnc3c2)c1Cl
InChIInChI=1S/C11H7ClN4O/c12-9-10(17-16-11(9)13)6-1-2-7-8(5-6)15-4-3-14-7/h1-5H,(H2,13,16)
InChIKeyDZSSCPFPEGLBMO-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.52
Rot. Bonds1

About 4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine

4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine (PubChem CID 79557790) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is 4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine
PubChem CID79557790
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC Name4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc3nccnc3c2)c1Cl
InChIInChI=1S/C11H7ClN4O/c12-9-10(17-16-11(9)13)6-1-2-7-8(5-6)15-4-3-14-7/h1-5H,(H2,13,16)
InChIKeyDZSSCPFPEGLBMO-UHFFFAOYSA-N
XLogP2.52
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine
CID 79555946
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 79557105
4-quinoxalin-6-ylpyridin-2-amine
CID 46196144
5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine
CID 62850606
5-(4-bromo-3-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 81307029
5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80522847
5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 103222608
4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 79555769
5-(3,5-dichlorophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521472
(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901617
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine
CID 79557098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine (CID 79557790) is 4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine is Nc1noc(-c2ccc3nccnc3c2)c1Cl.
What is the InChIKey of 4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine?
The InChIKey is DZSSCPFPEGLBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-9-10(17-16-11(9)13)6-1-2-7-8(5-6)15-4-3-14-7/h1-5H,(H2,13,16).
What are the key properties of 4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine?
4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine has a molecular weight of 246.66 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-quinoxalin-6-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 79557790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).