N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine

C20H16F2N4O — CID 16759567

IUPACN-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2ncnc(NCc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C20H16F2N4O/c1-11-19(12(2)27-26-11)14-4-6-18-15(8-14)20(25-10-24-18)23-9-13-3-5-16(21)17(22)7-13/h3-8,10H,9H2,1-2H3,(H,23,24,25)
InChIKeyADZFDAGQWVHEQB-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.79
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine

N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine (PubChem CID 16759567) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
PubChem CID16759567
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2ncnc(NCc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C20H16F2N4O/c1-11-19(12(2)27-26-11)14-4-6-18-15(8-14)20(25-10-24-18)23-9-13-3-5-16(21)17(22)7-13/h3-8,10H,9H2,1-2H3,(H,23,24,25)
InChIKeyADZFDAGQWVHEQB-UHFFFAOYSA-N
XLogP4.79
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine (CID 16759567) is N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine is Cc1noc(C)c1-c1ccc2ncnc(NCc3ccc(F)c(F)c3)c2c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The InChIKey is ADZFDAGQWVHEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c1-11-19(12(2)27-26-11)14-4-6-18-15(8-14)20(25-10-24-18)23-9-13-3-5-16(21)17(22)7-13/h3-8,10H,9H2,1-2H3,(H,23,24,25).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine has a molecular weight of 366.37 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 16759567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).