4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine

C17H18N4O2 — CID 3233876

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine
SMILESCc1noc(C)c1-c1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C17H18N4O2/c1-11-15(12(2)23-20-11)16-18-14-6-4-3-5-13(14)17(19-16)21-7-9-22-10-8-21/h3-6H,7-10H2,1-2H3
InChIKeyNKXOHBFFXOYTCL-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.74
Rot. Bonds2

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine (PubChem CID 3233876) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine
PubChem CID3233876
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine
SMILESCc1noc(C)c1-c1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C17H18N4O2/c1-11-15(12(2)23-20-11)16-18-14-6-4-3-5-13(14)17(19-16)21-7-9-22-10-8-21/h3-6H,7-10H2,1-2H3
InChIKeyNKXOHBFFXOYTCL-UHFFFAOYSA-N
XLogP2.74
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine (CID 3233876) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine is Cc1noc(C)c1-c1nc(N2CCOCC2)c2ccccc2n1.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine?
The InChIKey is NKXOHBFFXOYTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-15(12(2)23-20-11)16-18-14-6-4-3-5-13(14)17(19-16)21-7-9-22-10-8-21/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine has a molecular weight of 310.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 3233876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).