2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine

C12H14FN3O — CID 106387593

IUPAC2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
SMILESCc1cnc(C(C)Nc2ccc(N)cc2F)o1
InChIInChI=1S/C12H14FN3O/c1-7-6-15-12(17-7)8(2)16-11-4-3-9(14)5-10(11)13/h3-6,8,16H,14H2,1-2H3
InChIKeyBMURBIVRGDPPOM-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.88
Rot. Bonds3

About 2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine

2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine (PubChem CID 106387593) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
PubChem CID106387593
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
SMILESCc1cnc(C(C)Nc2ccc(N)cc2F)o1
InChIInChI=1S/C12H14FN3O/c1-7-6-15-12(17-7)8(2)16-11-4-3-9(14)5-10(11)13/h3-6,8,16H,14H2,1-2H3
InChIKeyBMURBIVRGDPPOM-UHFFFAOYSA-N
XLogP2.88
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.88
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

4-bromo-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387609
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726
3-chloro-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenecarbothioamide
CID 106388558
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 106387621
3-chloro-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid
CID 114182553
5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 106387732
3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide
CID 106387707
3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 114182292
5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387563
5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine (CID 106387593) is 2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine is Cc1cnc(C(C)Nc2ccc(N)cc2F)o1.
What is the InChIKey of 2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine?
The InChIKey is BMURBIVRGDPPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7-6-15-12(17-7)8(2)16-11-4-3-9(14)5-10(11)13/h3-6,8,16H,14H2,1-2H3.
What are the key properties of 2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine?
2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine has a molecular weight of 235.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 106387593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).