5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine

C12H10N4O — CID 86093327

IUPAC5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2ncnc3ccccc23)no1
InChIInChI=1S/C12H10N4O/c1-8-6-11(16-17-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyLDEBYETXDRSTHY-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.67
Rot. Bonds2

About 5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine

5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine (PubChem CID 86093327) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine
PubChem CID86093327
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2ncnc3ccccc23)no1
InChIInChI=1S/C12H10N4O/c1-8-6-11(16-17-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyLDEBYETXDRSTHY-UHFFFAOYSA-N
XLogP2.67
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine (CID 86093327) is 5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine is Cc1cc(Nc2ncnc3ccccc23)no1.
What is the InChIKey of 5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine?
The InChIKey is LDEBYETXDRSTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-6-11(16-17-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of 5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine?
5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine has a molecular weight of 226.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-quinazolin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 86093327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).