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

C21H21N5O — CID 53003062

IUPACN,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCCN(CC)c1nc(-c2nnc(-c3ccc(C)cc3)o2)nc2ccccc12
InChIInChI=1S/C21H21N5O/c1-4-26(5-2)19-16-8-6-7-9-17(16)22-18(23-19)21-25-24-20(27-21)15-12-10-14(3)11-13-15/h6-13H,4-5H2,1-3H3
InChIKeyHDWUHELQUHSICC-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.50
Rot. Bonds5

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

N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 53003062) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
PubChem CID53003062
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCCN(CC)c1nc(-c2nnc(-c3ccc(C)cc3)o2)nc2ccccc12
InChIInChI=1S/C21H21N5O/c1-4-26(5-2)19-16-8-6-7-9-17(16)22-18(23-19)21-25-24-20(27-21)15-12-10-14(3)11-13-15/h6-13H,4-5H2,1-3H3
InChIKeyHDWUHELQUHSICC-UHFFFAOYSA-N
XLogP4.50
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The IUPAC name of N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 53003062) is N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.
What is the SMILES notation for N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The canonical SMILES for N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is CCN(CC)c1nc(-c2nnc(-c3ccc(C)cc3)o2)nc2ccccc12.
What is the InChIKey of N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The InChIKey is HDWUHELQUHSICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-4-26(5-2)19-16-8-6-7-9-17(16)22-18(23-19)21-25-24-20(27-21)15-12-10-14(3)11-13-15/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 359.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 53003062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).