N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine

C11H13FN2O — CID 5242372

IUPACN-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine
SMILESCC1(C)COC(Nc2ccc(F)cc2)=N1
InChIInChI=1S/C11H13FN2O/c1-11(2)7-15-10(14-11)13-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyPCBNRVXNQWSEGG-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.40
Rot. Bonds1

About N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine

N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine (PubChem CID 5242372) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine
PubChem CID5242372
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine
SMILESCC1(C)COC(Nc2ccc(F)cc2)=N1
InChIInChI=1S/C11H13FN2O/c1-11(2)7-15-10(14-11)13-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyPCBNRVXNQWSEGG-UHFFFAOYSA-N
XLogP2.40
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine (CID 5242372) is N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine is CC1(C)COC(Nc2ccc(F)cc2)=N1.
What is the InChIKey of N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine?
The InChIKey is PCBNRVXNQWSEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-11(2)7-15-10(14-11)13-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine?
N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine has a molecular weight of 208.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 5242372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).