4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine

C16H20ClFN2O — CID 82792888

IUPAC4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine
SMILESCCCCCCCc1onc(N)c1-c1cccc(Cl)c1F
InChIInChI=1S/C16H20ClFN2O/c1-2-3-4-5-6-10-13-14(16(19)20-21-13)11-8-7-9-12(17)15(11)18/h7-9H,2-6,10H2,1H3,(H2,19,20)
InChIKeyXGLYOKFMTNVBKT-UHFFFAOYSA-N
MW310.80 g/mol
LogP5.23
Rot. Bonds7

About 4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine

4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine (PubChem CID 82792888) has the molecular formula C16H20ClFN2O and a molecular weight of 310.80 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine
PubChem CID82792888
Molecular FormulaC16H20ClFN2O
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine
SMILESCCCCCCCc1onc(N)c1-c1cccc(Cl)c1F
InChIInChI=1S/C16H20ClFN2O/c1-2-3-4-5-6-10-13-14(16(19)20-21-13)11-8-7-9-12(17)15(11)18/h7-9H,2-6,10H2,1H3,(H2,19,20)
InChIKeyXGLYOKFMTNVBKT-UHFFFAOYSA-N
XLogP5.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.80
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chlorophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66206616
4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66206625
4-(4-chlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66197935
5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200570
4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 82808316
4-(3-bromophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66199444
4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66205392
5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198020
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122
5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66203226
4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 82808433
4-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylcyclopropyl)-1,2-oxazol-3-amine
CID 107003659

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine (CID 82792888) is 4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine is CCCCCCCc1onc(N)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine?
The InChIKey is XGLYOKFMTNVBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O/c1-2-3-4-5-6-10-13-14(16(19)20-21-13)11-8-7-9-12(17)15(11)18/h7-9H,2-6,10H2,1H3,(H2,19,20).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine has a molecular weight of 310.80 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine is sourced from PubChem (CID 82792888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).