3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one

C20H14F3N3O2 — CID 70974623

IUPAC3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCc1cnc(Cn2cnc3ccc(-c4ccc(C(F)(F)F)cc4)cc3c2=O)o1
InChIInChI=1S/C20H14F3N3O2/c1-12-9-24-18(28-12)10-26-11-25-17-7-4-14(8-16(17)19(26)27)13-2-5-15(6-3-13)20(21,22)23/h2-9,11H,10H2,1H3
InChIKeyKQUALRKZGSDVKT-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.43
Rot. Bonds3

About 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one

3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one (PubChem CID 70974623) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one
PubChem CID70974623
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC Name3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCc1cnc(Cn2cnc3ccc(-c4ccc(C(F)(F)F)cc4)cc3c2=O)o1
InChIInChI=1S/C20H14F3N3O2/c1-12-9-24-18(28-12)10-26-11-25-17-7-4-14(8-16(17)19(26)27)13-2-5-15(6-3-13)20(21,22)23/h2-9,11H,10H2,1H3
InChIKeyKQUALRKZGSDVKT-UHFFFAOYSA-N
XLogP4.43
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one (CID 70974623) is 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one is Cc1cnc(Cn2cnc3ccc(-c4ccc(C(F)(F)F)cc4)cc3c2=O)o1.
What is the InChIKey of 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The InChIKey is KQUALRKZGSDVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c1-12-9-24-18(28-12)10-26-11-25-17-7-4-14(8-16(17)19(26)27)13-2-5-15(6-3-13)20(21,22)23/h2-9,11H,10H2,1H3.
What are the key properties of 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one has a molecular weight of 385.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 70974623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).