4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine

C13H13N5O — CID 65336736

IUPAC4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
SMILESCc1cc(CNc2ncnc3cc(N)ccc23)no1
InChIInChI=1S/C13H13N5O/c1-8-4-10(18-19-8)6-15-13-11-3-2-9(14)5-12(11)16-7-17-13/h2-5,7H,6,14H2,1H3,(H,15,16,17)
InChIKeyMJOCZPFZYBYXQN-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.12
Rot. Bonds3

About 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine (PubChem CID 65336736) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
PubChem CID65336736
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
SMILESCc1cc(CNc2ncnc3cc(N)ccc23)no1
InChIInChI=1S/C13H13N5O/c1-8-4-10(18-19-8)6-15-13-11-3-2-9(14)5-12(11)16-7-17-13/h2-5,7H,6,14H2,1H3,(H,15,16,17)
InChIKeyMJOCZPFZYBYXQN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine (CID 65336736) is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine is Cc1cc(CNc2ncnc3cc(N)ccc23)no1.
What is the InChIKey of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine?
The InChIKey is MJOCZPFZYBYXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-4-10(18-19-8)6-15-13-11-3-2-9(14)5-12(11)16-7-17-13/h2-5,7H,6,14H2,1H3,(H,15,16,17).
What are the key properties of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine?
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-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 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine is sourced from PubChem (CID 65336736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).