6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine

C16H18N4O2 — CID 3232664

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine
SMILESCOCCNc1ncnc2ccc(-c3c(C)noc3C)cc12
InChIInChI=1S/C16H18N4O2/c1-10-15(11(2)22-20-10)12-4-5-14-13(8-12)16(19-9-18-14)17-6-7-21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,19)
InChIKeyVETFLZQPBBYFLI-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.96
Rot. Bonds5

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine (PubChem CID 3232664) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine
PubChem CID3232664
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine
SMILESCOCCNc1ncnc2ccc(-c3c(C)noc3C)cc12
InChIInChI=1S/C16H18N4O2/c1-10-15(11(2)22-20-10)12-4-5-14-13(8-12)16(19-9-18-14)17-6-7-21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,19)
InChIKeyVETFLZQPBBYFLI-UHFFFAOYSA-N
XLogP2.96
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine (CID 3232664) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine is COCCNc1ncnc2ccc(-c3c(C)noc3C)cc12.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine?
The InChIKey is VETFLZQPBBYFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-15(11(2)22-20-10)12-4-5-14-13(8-12)16(19-9-18-14)17-6-7-21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine has a molecular weight of 298.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine is sourced from PubChem (CID 3232664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).