N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

C24H22N6O2 — CID 53013006

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCc1ccc(-c2nnc(-c3nc(NCCc4c(C)noc4C)c4ccccc4n3)o2)cc1
InChIInChI=1S/C24H22N6O2/c1-14-8-10-17(11-9-14)23-28-29-24(31-23)22-26-20-7-5-4-6-19(20)21(27-22)25-13-12-18-15(2)30-32-16(18)3/h4-11H,12-13H2,1-3H3,(H,25,26,27)
InChIKeyABUZMUBLJSFXOK-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.91
Rot. Bonds6

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 53013006) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
PubChem CID53013006
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCc1ccc(-c2nnc(-c3nc(NCCc4c(C)noc4C)c4ccccc4n3)o2)cc1
InChIInChI=1S/C24H22N6O2/c1-14-8-10-17(11-9-14)23-28-29-24(31-23)22-26-20-7-5-4-6-19(20)21(27-22)25-13-12-18-15(2)30-32-16(18)3/h4-11H,12-13H2,1-3H3,(H,25,26,27)
InChIKeyABUZMUBLJSFXOK-UHFFFAOYSA-N
XLogP4.91
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 53013006) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is Cc1ccc(-c2nnc(-c3nc(NCCc4c(C)noc4C)c4ccccc4n3)o2)cc1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The InChIKey is ABUZMUBLJSFXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-14-8-10-17(11-9-14)23-28-29-24(31-23)22-26-20-7-5-4-6-19(20)21(27-22)25-13-12-18-15(2)30-32-16(18)3/h4-11H,12-13H2,1-3H3,(H,25,26,27).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 426.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 53013006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).