3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline

C11H11FN2OS — CID 106921680

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline
SMILESCc1nc(Sc2cc(N)cc(F)c2)oc1C
InChIInChI=1S/C11H11FN2OS/c1-6-7(2)15-11(14-6)16-10-4-8(12)3-9(13)5-10/h3-5H,13H2,1-2H3
InChIKeyDZJWGORPVDRNBG-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.16
Rot. Bonds2

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline (PubChem CID 106921680) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline
PubChem CID106921680
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline
SMILESCc1nc(Sc2cc(N)cc(F)c2)oc1C
InChIInChI=1S/C11H11FN2OS/c1-6-7(2)15-11(14-6)16-10-4-8(12)3-9(13)5-10/h3-5H,13H2,1-2H3
InChIKeyDZJWGORPVDRNBG-UHFFFAOYSA-N
XLogP3.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline (CID 106921680) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline is Cc1nc(Sc2cc(N)cc(F)c2)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline?
The InChIKey is DZJWGORPVDRNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-6-7(2)15-11(14-6)16-10-4-8(12)3-9(13)5-10/h3-5H,13H2,1-2H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline has a molecular weight of 238.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline is sourced from PubChem (CID 106921680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).