4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine

C11H11F2N3O — CID 112737532

IUPAC4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)F)ccc1NCc1ccon1
InChIInChI=1S/C11H11F2N3O/c12-11(13)7-1-2-10(9(14)5-7)15-6-8-3-4-17-16-8/h1-5,11,15H,6,14H2
InChIKeyDMUYRUAMHRNWFY-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.81
Rot. Bonds4

About 4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine

4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine (PubChem CID 112737532) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
PubChem CID112737532
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)F)ccc1NCc1ccon1
InChIInChI=1S/C11H11F2N3O/c12-11(13)7-1-2-10(9(14)5-7)15-6-8-3-4-17-16-8/h1-5,11,15H,6,14H2
InChIKeyDMUYRUAMHRNWFY-UHFFFAOYSA-N
XLogP2.81
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
CID 9860220
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 8087857
n-((5-Methylisoxazol-3-yl)methyl)-4-(trifluoromethyl)aniline
CID 52327702
N-benzyl-3-methyl-1,2-oxazol-4-amine
CID 13804299
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8009827
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17457499
7-fluoro-1-(1,2-oxazol-3-ylmethyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 71983351
7-fluoro-2-hydroxy-N-(3-isoxazolylmethyl)-4-quinolinecarboxamide
CID 74239727
1-N,1-N,2-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
CID 75482754
N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline
CID 97160764
3-Ethyl-4-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,2-oxazole
CID 137956114
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 59104379

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine (CID 112737532) is 4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine is Nc1cc(C(F)F)ccc1NCc1ccon1.
What is the InChIKey of 4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is DMUYRUAMHRNWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-11(13)7-1-2-10(9(14)5-7)15-6-8-3-4-17-16-8/h1-5,11,15H,6,14H2.
What are the key properties of 4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine has a molecular weight of 239.23 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 112737532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).