1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine

C12H13FN2O — CID 79495912

IUPAC1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESCc1cc(F)ccc1CNCc1ccon1
InChIInChI=1S/C12H13FN2O/c1-9-6-11(13)3-2-10(9)7-14-8-12-4-5-16-15-12/h2-6,14H,7-8H2,1H3
InChIKeyDZLFWTSSRPXGIO-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.41
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine

1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine (PubChem CID 79495912) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
PubChem CID79495912
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESCc1cc(F)ccc1CNCc1ccon1
InChIInChI=1S/C12H13FN2O/c1-9-6-11(13)3-2-10(9)7-14-8-12-4-5-16-15-12/h2-6,14H,7-8H2,1H3
InChIKeyDZLFWTSSRPXGIO-UHFFFAOYSA-N
XLogP2.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(Isoxazol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16191689
2-[1-(3,4-Difluorobenzyl)-4-(isoxazol-3-ylmethyl)piperazin-2-yl]ethanol
CID 16189934
N-(3-isoxazolylmethyl)-N-methyl-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 24793419
(3-(3-(4-Fluorophenyl)-1,2-oxazol-5-yl)propyl)(methyl)amine
CID 47003118
1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 24793307
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-(3-isoxazolylmethyl)-N-methylacetamide
CID 24817606
2-[1-(2,3-difluorobenzyl)-3-oxo-2-piperazinyl]-N-(3-isoxazolylmethyl)-N-methylacetamide
CID 24819525
3-[[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 47008938
n-((5-Methylisoxazol-3-yl)methyl)-4-(trifluoromethyl)aniline
CID 52327702
N'-benzyl-N-(1-isoxazol-3-ylethyl)-N-methylsulfamide
CID 56872796
N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 71919937
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine
CID 71968702

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine (CID 79495912) is 1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine is Cc1cc(F)ccc1CNCc1ccon1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The InChIKey is DZLFWTSSRPXGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9-6-11(13)3-2-10(9)7-14-8-12-4-5-16-15-12/h2-6,14H,7-8H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine has a molecular weight of 220.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine is sourced from PubChem (CID 79495912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).