3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline

C11H11FN2O — CID 126782089

IUPAC3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
SMILESCc1cc(CNc2cccc(F)c2)on1
InChIInChI=1S/C11H11FN2O/c1-8-5-11(15-14-8)7-13-10-4-2-3-9(12)6-10/h2-6,13H,7H2,1H3
InChIKeyQPSCPWKJHKTZSH-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.73
Rot. Bonds3

About 3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline

3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline (PubChem CID 126782089) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
PubChem CID126782089
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
SMILESCc1cc(CNc2cccc(F)c2)on1
InChIInChI=1S/C11H11FN2O/c1-8-5-11(15-14-8)7-13-10-4-2-3-9(12)6-10/h2-6,13H,7H2,1H3
InChIKeyQPSCPWKJHKTZSH-UHFFFAOYSA-N
XLogP2.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
CID 62376804
2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31673888
2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridin-4-amine
CID 103756549
2-fluoro-4-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzenecarbothioamide
CID 113295875
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 126782843
5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzenecarbothioamide
CID 55234103
5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline
CID 62376263
1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 62135129
2-amino-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzonitrile
CID 113323939
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62312935

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline?
The IUPAC name of 3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline (CID 126782089) is 3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline is Cc1cc(CNc2cccc(F)c2)on1.
What is the InChIKey of 3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline?
The InChIKey is QPSCPWKJHKTZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8-5-11(15-14-8)7-13-10-4-2-3-9(12)6-10/h2-6,13H,7H2,1H3.
What are the key properties of 3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline?
3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline has a molecular weight of 206.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline is sourced from PubChem (CID 126782089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).