3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine

C13H13N5O — CID 102983976

IUPAC3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine
SMILESCc1cc(CNc2nc3ccccc3nc2N)no1
InChIInChI=1S/C13H13N5O/c1-8-6-9(18-19-8)7-15-13-12(14)16-10-4-2-3-5-11(10)17-13/h2-6H,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyFIOWNMINDQRZKP-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.12
Rot. Bonds3

About 3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine

3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine (PubChem CID 102983976) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine
PubChem CID102983976
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine
SMILESCc1cc(CNc2nc3ccccc3nc2N)no1
InChIInChI=1S/C13H13N5O/c1-8-6-9(18-19-8)7-15-13-12(14)16-10-4-2-3-5-11(10)17-13/h2-6H,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyFIOWNMINDQRZKP-UHFFFAOYSA-N
XLogP2.12
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxalin-2-amine
CID 71846707
N-[(5-methyl-1,2-oxazol-3-yl)methyl]naphthalen-2-amine
CID 60685428
5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80983242
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80814214
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
CID 65336736
3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984697
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 79917521
3-N-[(4-bromothiophen-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984548
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813211
6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813482
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine (CID 102983976) is 3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine is Cc1cc(CNc2nc3ccccc3nc2N)no1.
What is the InChIKey of 3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine?
The InChIKey is FIOWNMINDQRZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-6-9(18-19-8)7-15-13-12(14)16-10-4-2-3-5-11(10)17-13/h2-6H,7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine?
3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine has a molecular weight of 255.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102983976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).