6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine

C16H18FN5O — CID 133305631

IUPAC6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine
SMILESCC(C)c1noc(CCCNc2ncnc3ccc(F)cc23)n1
InChIInChI=1S/C16H18FN5O/c1-10(2)15-21-14(23-22-15)4-3-7-18-16-12-8-11(17)5-6-13(12)19-9-20-16/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyIDVYGNOLPYIQPA-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.32
Rot. Bonds6

About 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine

6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine (PubChem CID 133305631) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine
PubChem CID133305631
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine
SMILESCC(C)c1noc(CCCNc2ncnc3ccc(F)cc23)n1
InChIInChI=1S/C16H18FN5O/c1-10(2)15-21-14(23-22-15)4-3-7-18-16-12-8-11(17)5-6-13(12)19-9-20-16/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyIDVYGNOLPYIQPA-UHFFFAOYSA-N
XLogP3.32
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine with MolForge

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Related Compounds

N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-fluoroquinazolin-4-amine
CID 167820856
6-fluoro-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133325400
3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
CID 91648217
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
CID 78901232
2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133305648
2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133405040
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine
CID 167828623
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine
CID 133274665
6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
CID 171354439
2-(2-bromo-4-fluorophenoxy)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 49032045

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine (CID 133305631) is 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine is CC(C)c1noc(CCCNc2ncnc3ccc(F)cc23)n1.
What is the InChIKey of 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine?
The InChIKey is IDVYGNOLPYIQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-10(2)15-21-14(23-22-15)4-3-7-18-16-12-8-11(17)5-6-13(12)19-9-20-16/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19,20).
What are the key properties of 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine?
6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine has a molecular weight of 315.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine is sourced from PubChem (CID 133305631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).