4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H13FN2O — CID 59323834

IUPAC4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccc(F)c(CC2COC(N)=N2)c1
InChIInChI=1S/C11H13FN2O/c1-7-2-3-10(12)8(4-7)5-9-6-15-11(13)14-9/h2-4,9H,5-6H2,1H3,(H2,13,14)
InChIKeySKWMTESEXITWPS-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.39
Rot. Bonds2

About 4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323834) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323834
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccc(F)c(CC2COC(N)=N2)c1
InChIInChI=1S/C11H13FN2O/c1-7-2-3-10(12)8(4-7)5-9-6-15-11(13)14-9/h2-4,9H,5-6H2,1H3,(H2,13,14)
InChIKeySKWMTESEXITWPS-UHFFFAOYSA-N
XLogP1.39
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-ethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 147644765
(4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323786
(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24967182
4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67180774
4-[(N-benzyl-2-fluoro-4-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271526
4-[(N,4-dimethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67270363
4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67177300
4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67270715
(4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323625
(4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173201
4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68714282
4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271503

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323834) is 4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is Cc1ccc(F)c(CC2COC(N)=N2)c1.
What is the InChIKey of 4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is SKWMTESEXITWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7-2-3-10(12)8(4-7)5-9-6-15-11(13)14-9/h2-4,9H,5-6H2,1H3,(H2,13,14).
What are the key properties of 4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 208.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).