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

C14H17FN2O — CID 66199575

IUPAC5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
SMILESCC(C)(C)Cc1onc(N)c1-c1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-14(2,3)8-11-12(13(16)17-18-11)9-5-4-6-10(15)7-9/h4-7H,8H2,1-3H3,(H2,16,17)
InChIKeyNVFHSOBQRDUVLB-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.65
Rot. Bonds2

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

5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66199575) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66199575
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
SMILESCC(C)(C)Cc1onc(N)c1-c1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-14(2,3)8-11-12(13(16)17-18-11)9-5-4-6-10(15)7-9/h4-7H,8H2,1-3H3,(H2,16,17)
InChIKeyNVFHSOBQRDUVLB-UHFFFAOYSA-N
XLogP3.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylpropyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199678
4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66201314
4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66206820
5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198579
5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198577
5-(5-fluoro-2-methylphenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66197977
4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198177
5-(2-bromo-6-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 114561326
5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199569
5-(4-bromo-2-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198773
4-(3-bromophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66199444
5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66199764

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine (CID 66199575) is 5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine is CC(C)(C)Cc1onc(N)c1-c1cccc(F)c1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is NVFHSOBQRDUVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-14(2,3)8-11-12(13(16)17-18-11)9-5-4-6-10(15)7-9/h4-7H,8H2,1-3H3,(H2,16,17).
What are the key properties of 5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 248.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).