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

C21H14FN5O2 — CID 53090513

IUPAC2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine
SMILESFc1ccc(-c2nnc(-c3nc(NCc4ccco4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C21H14FN5O2/c22-14-9-7-13(8-10-14)20-26-27-21(29-20)19-24-17-6-2-1-5-16(17)18(25-19)23-12-15-4-3-11-28-15/h1-11H,12H2,(H,23,24,25)
InChIKeyNMSBEGACIWXRHA-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.69
Rot. Bonds5

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

2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine (PubChem CID 53090513) has the molecular formula C21H14FN5O2 and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine
PubChem CID53090513
Molecular FormulaC21H14FN5O2
Molecular Weight387.37 g/mol
Exact Mass387.11
IUPAC Name2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine
SMILESFc1ccc(-c2nnc(-c3nc(NCc4ccco4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C21H14FN5O2/c22-14-9-7-13(8-10-14)20-26-27-21(29-20)19-24-17-6-2-1-5-16(17)18(25-19)23-12-15-4-3-11-28-15/h1-11H,12H2,(H,23,24,25)
InChIKeyNMSBEGACIWXRHA-UHFFFAOYSA-N
XLogP4.69
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
CID 2910633
CID 2910633
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
2-Chloro-N-[(furan-2-yl)methyl]quinazolin-4-amine
CID 1599048
N~4~-(2-furylmethyl)-N~2~-(2-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2908311
N4-(furan-2-ylmethyl)-N2-(2-methoxyphenyl)quinazoline-2,4-diamine hydrochloride
CID 16682278
(3,4-Dihydro-2H-quinolin-1-yl)-(5-furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 654073
N2-(4-fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 797083
N~4~-(furan-2-ylmethyl)-N~2~-(4-methylphenyl)quinazoline-2,4-diamine
CID 886392
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 940433
N~2~-(4-ethoxyphenyl)-N~4~-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 1394169
Methyl 4-({4-[(2-furylmethyl)amino]-2-quinazolinyl}amino)benzoate
CID 11689305

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine (CID 53090513) is 2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine is Fc1ccc(-c2nnc(-c3nc(NCc4ccco4)c4ccccc4n3)o2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is NMSBEGACIWXRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O2/c22-14-9-7-13(8-10-14)20-26-27-21(29-20)19-24-17-6-2-1-5-16(17)18(25-19)23-12-15-4-3-11-28-15/h1-11H,12H2,(H,23,24,25).
What are the key properties of 2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine?
2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 387.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 53090513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).