1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine

C17H20N4O2 — CID 121255817

IUPAC1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
SMILESCOc1c(-c2cnco2)ccc2nc(C(N)CC(C)C)ncc12
InChIInChI=1S/C17H20N4O2/c1-10(2)6-13(18)17-20-7-12-14(21-17)5-4-11(16(12)22-3)15-8-19-9-23-15/h4-5,7-10,13H,6,18H2,1-3H3
InChIKeyLBVHXHVGFFIKHW-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.34
Rot. Bonds5

About 1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine

1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine (PubChem CID 121255817) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
PubChem CID121255817
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
SMILESCOc1c(-c2cnco2)ccc2nc(C(N)CC(C)C)ncc12
InChIInChI=1S/C17H20N4O2/c1-10(2)6-13(18)17-20-7-12-14(21-17)5-4-11(16(12)22-3)15-8-19-9-23-15/h4-5,7-10,13H,6,18H2,1-3H3
InChIKeyLBVHXHVGFFIKHW-UHFFFAOYSA-N
XLogP3.34
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine (CID 121255817) is 1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine is COc1c(-c2cnco2)ccc2nc(C(N)CC(C)C)ncc12.
What is the InChIKey of 1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
The InChIKey is LBVHXHVGFFIKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10(2)6-13(18)17-20-7-12-14(21-17)5-4-11(16(12)22-3)15-8-19-9-23-15/h4-5,7-10,13H,6,18H2,1-3H3.
What are the key properties of 1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine has a molecular weight of 312.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 121255817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).