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

C22H20FN5O — CID 46354948

IUPACN-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESFc1ccc(-c2nnc(-c3nc(NC4CCCCC4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C22H20FN5O/c23-15-12-10-14(11-13-15)21-27-28-22(29-21)20-25-18-9-5-4-8-17(18)19(26-20)24-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,24,25,26)
InChIKeyMVHJUWLUXHBFRG-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.23
Rot. Bonds4

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

N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 46354948) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
PubChem CID46354948
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESFc1ccc(-c2nnc(-c3nc(NC4CCCCC4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C22H20FN5O/c23-15-12-10-14(11-13-15)21-27-28-22(29-21)20-25-18-9-5-4-8-17(18)19(26-20)24-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,24,25,26)
InChIKeyMVHJUWLUXHBFRG-UHFFFAOYSA-N
XLogP5.23
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The IUPAC name of N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 46354948) is N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The canonical SMILES for N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is Fc1ccc(-c2nnc(-c3nc(NC4CCCCC4)c4ccccc4n3)o2)cc1.
What is the InChIKey of N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The InChIKey is MVHJUWLUXHBFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c23-15-12-10-14(11-13-15)21-27-28-22(29-21)20-25-18-9-5-4-8-17(18)19(26-20)24-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,24,25,26).
What are the key properties of N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 389.43 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 46354948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).