5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine

C13H15FN2O — CID 113396074

IUPAC5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(C)cc(F)c1
InChIInChI=1S/C13H15FN2O/c1-3-4-11-12(17-16-13(11)15)9-5-8(2)6-10(14)7-9/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyKDRSBQXUCPSPEH-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.32
Rot. Bonds3

About 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine

5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 113396074) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID113396074
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(C)cc(F)c1
InChIInChI=1S/C13H15FN2O/c1-3-4-11-12(17-16-13(11)15)9-5-8(2)6-10(14)7-9/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyKDRSBQXUCPSPEH-UHFFFAOYSA-N
XLogP3.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79412173
4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79412634
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411963
5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411623
4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198631
5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79413104
5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 81117241
5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79412403
5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411476
4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine
CID 66199635
5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 107954850
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 79555953

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine (CID 113396074) is 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1cc(C)cc(F)c1.
What is the InChIKey of 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is KDRSBQXUCPSPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-4-11-12(17-16-13(11)15)9-5-8(2)6-10(14)7-9/h5-7H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 234.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 113396074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).