N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine

C14H14N4O — CID 47983697

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine
SMILESCc1noc(C)c1CNc1cnc2ccccc2n1
InChIInChI=1S/C14H14N4O/c1-9-11(10(2)19-18-9)7-16-14-8-15-12-5-3-4-6-13(12)17-14/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyZGFCBASSRZFIDG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.85
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine (PubChem CID 47983697) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine
PubChem CID47983697
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine
SMILESCc1noc(C)c1CNc1cnc2ccccc2n1
InChIInChI=1S/C14H14N4O/c1-9-11(10(2)19-18-9)7-16-14-8-15-12-5-3-4-6-13(12)17-14/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyZGFCBASSRZFIDG-UHFFFAOYSA-N
XLogP2.85
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 78922105
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
CID 43691291
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
N-[(5-methylpyrazin-2-yl)methyl]quinoxalin-2-amine
CID 62846299
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyridazin-3-amine
CID 79242277
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 78974618
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(2-methylpropoxy)pyrazin-2-amine
CID 84585556
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 71937141
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
CID 133347501
[4-[(quinoxalin-2-ylamino)methyl]phenyl]methanol
CID 107232330
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluoropyrimidin-4-amine
CID 115417159

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine (CID 47983697) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine is Cc1noc(C)c1CNc1cnc2ccccc2n1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine?
The InChIKey is ZGFCBASSRZFIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-11(10(2)19-18-9)7-16-14-8-15-12-5-3-4-6-13(12)17-14/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine has a molecular weight of 254.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 47983697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).