4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide

C22H18F3N5O2 — CID 26342839

IUPAC4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C22H18F3N5O2/c1-13-19(32-12-28-13)21(31)27-11-18-29-17-8-3-2-7-16(17)20(30-18)26-10-14-5-4-6-15(9-14)22(23,24)25/h2-9,12H,10-11H2,1H3,(H,27,31)(H,26,29,30)
InChIKeyJAGHJBFJICCXOG-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.49
Rot. Bonds6

About 4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 26342839) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID26342839
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C22H18F3N5O2/c1-13-19(32-12-28-13)21(31)27-11-18-29-17-8-3-2-7-16(17)20(30-18)26-10-14-5-4-6-15(9-14)22(23,24)25/h2-9,12H,10-11H2,1H3,(H,27,31)(H,26,29,30)
InChIKeyJAGHJBFJICCXOG-UHFFFAOYSA-N
XLogP4.49
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide (CID 26342839) is 4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1.
What is the InChIKey of 4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is JAGHJBFJICCXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c1-13-19(32-12-28-13)21(31)27-11-18-29-17-8-3-2-7-16(17)20(30-18)26-10-14-5-4-6-15(9-14)22(23,24)25/h2-9,12H,10-11H2,1H3,(H,27,31)(H,26,29,30).
What are the key properties of 4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 441.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 26342839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).