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

C20H16FN5OS — CID 18285895

IUPACN-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine
SMILESFc1ccc(-c2noc(CSc3nc(NC4CC4)c4ccccc4n3)n2)cc1
InChIInChI=1S/C20H16FN5OS/c21-13-7-5-12(6-8-13)18-24-17(27-26-18)11-28-20-23-16-4-2-1-3-15(16)19(25-20)22-14-9-10-14/h1-8,14H,9-11H2,(H,22,23,25)
InChIKeyUPCQRWBDZRBPPS-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.69
Rot. Bonds6

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

N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine (PubChem CID 18285895) has the molecular formula C20H16FN5OS and a molecular weight of 393.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine
PubChem CID18285895
Molecular FormulaC20H16FN5OS
Molecular Weight393.45 g/mol
Exact Mass393.11
IUPAC NameN-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine
SMILESFc1ccc(-c2noc(CSc3nc(NC4CC4)c4ccccc4n3)n2)cc1
InChIInChI=1S/C20H16FN5OS/c21-13-7-5-12(6-8-13)18-24-17(27-26-18)11-28-20-23-16-4-2-1-3-15(16)19(25-20)22-14-9-10-14/h1-8,14H,9-11H2,(H,22,23,25)
InChIKeyUPCQRWBDZRBPPS-UHFFFAOYSA-N
XLogP4.69
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine
CID 18269220
N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine
CID 40766758
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-methylquinazolin-4-amine
CID 174233588
N-(4-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine
CID 5142315
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60671278
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 18144154
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pentylquinazolin-4-one
CID 91811154
2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 17412559
2-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3H-quinazolin-4-one
CID 136741690
3-(4-fluorophenyl)-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 40658855
2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3H-quinazolin-4-one
CID 136741692
5-[(4-fluorophenyl)sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 55530125

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine (CID 18285895) is N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine is Fc1ccc(-c2noc(CSc3nc(NC4CC4)c4ccccc4n3)n2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine?
The InChIKey is UPCQRWBDZRBPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5OS/c21-13-7-5-12(6-8-13)18-24-17(27-26-18)11-28-20-23-16-4-2-1-3-15(16)19(25-20)22-14-9-10-14/h1-8,14H,9-11H2,(H,22,23,25).
What are the key properties of N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine?
N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine has a molecular weight of 393.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine is sourced from PubChem (CID 18285895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).