4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine

C10H10ClFN2O — CID 71188136

IUPAC4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine
SMILESNC1OC(CF)=NC1c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClFN2O/c11-7-3-1-6(2-4-7)9-10(13)15-8(5-12)14-9/h1-4,9-10H,5,13H2
InChIKeyBDJONBOMWNGRDQ-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.06
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine

4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine (PubChem CID 71188136) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine
PubChem CID71188136
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine
SMILESNC1OC(CF)=NC1c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClFN2O/c11-7-3-1-6(2-4-7)9-10(13)15-8(5-12)14-9/h1-4,9-10H,5,13H2
InChIKeyBDJONBOMWNGRDQ-UHFFFAOYSA-N
XLogP2.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-chloro-2-ethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323794
(4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 127031959
(4S)-4-(2-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966106
(S)-4-(4-Chlorophenyl)-4,5-dihydrooxazol-2-amine
CID 24966108
(S)-4-(3-Chlorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323754
(S)-4-(3-Chloro-5-fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 24966468
(4S)-4-(5-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323659
4-(2,4-Dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323718
(4S)-4-(2,4-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323720
(4S)-4-(3-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966459
(S)-4-(3-Chloro-4-fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 24966465
(4S)-4-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 56835992

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine (CID 71188136) is 4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine is NC1OC(CF)=NC1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine?
The InChIKey is BDJONBOMWNGRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c11-7-3-1-6(2-4-7)9-10(13)15-8(5-12)14-9/h1-4,9-10H,5,13H2.
What are the key properties of 4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine?
4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine has a molecular weight of 228.65 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(fluoromethyl)-4,5-dihydro-1,3-oxazol-5-amine is sourced from PubChem (CID 71188136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).