1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

C11H11FN2O — CID 103605027

IUPAC1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ccno2)cc1
InChIInChI=1S/C11H11FN2O/c12-10-3-1-9(2-4-10)7-13-8-11-5-6-14-15-11/h1-6,13H,7-8H2
InChIKeySMOYIVVZCPRWGZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 103605027) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID103605027
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESFc1ccc(CNCc2ccno2)cc1
InChIInChI=1S/C11H11FN2O/c12-10-3-1-9(2-4-10)7-13-8-11-5-6-14-15-11/h1-6,13H,7-8H2
InChIKeySMOYIVVZCPRWGZ-UHFFFAOYSA-N
XLogP2.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 104665246
1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185896
2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415418
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415122
1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415514
1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415684
1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol
CID 113223093
1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185996
N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine
CID 106415087
1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415106
5-[(1,2-oxazol-5-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 106419864

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 103605027) is 1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is Fc1ccc(CNCc2ccno2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is SMOYIVVZCPRWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-10-3-1-9(2-4-10)7-13-8-11-5-6-14-15-11/h1-6,13H,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 206.22 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 103605027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).