N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline

C17H15FN2O — CID 63646400

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCc1ccc(CNc2ccc(-c3cnco3)cc2)cc1F
InChIInChI=1S/C17H15FN2O/c1-12-2-3-13(8-16(12)18)9-20-15-6-4-14(5-7-15)17-10-19-11-21-17/h2-8,10-11,20H,9H2,1H3
InChIKeyMLLQZFOKPTXXNV-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.40
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline

N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline (PubChem CID 63646400) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
PubChem CID63646400
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
SMILESCc1ccc(CNc2ccc(-c3cnco3)cc2)cc1F
InChIInChI=1S/C17H15FN2O/c1-12-2-3-13(8-16(12)18)9-20-15-6-4-14(5-7-15)17-10-19-11-21-17/h2-8,10-11,20H,9H2,1H3
InChIKeyMLLQZFOKPTXXNV-UHFFFAOYSA-N
XLogP4.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943832
N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 104854359
2-bromo-4-[[4-(1,3-oxazol-5-yl)anilino]methyl]phenol
CID 63045032
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62346531
N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942944
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
N-[(3-fluoro-4-methylphenyl)methyl]-4-propoxyaniline
CID 63645716
N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 55113462

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline (CID 63646400) is N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline is Cc1ccc(CNc2ccc(-c3cnco3)cc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is MLLQZFOKPTXXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-12-2-3-13(8-16(12)18)9-20-15-6-4-14(5-7-15)17-10-19-11-21-17/h2-8,10-11,20H,9H2,1H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline?
N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 282.32 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 63646400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).