N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine

C15H13FN2O2S — CID 95325394

IUPACN-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine
SMILESO=[S@](CCNc1nc2ccccc2o1)c1ccccc1F
InChIInChI=1S/C15H13FN2O2S/c16-11-5-1-4-8-14(11)21(19)10-9-17-15-18-12-6-2-3-7-13(12)20-15/h1-8H,9-10H2,(H,17,18)/t21-/m1/s1
InChIKeyBBNBOQQIMHKIAU-OAQYLSRUSA-N
MW304.35 g/mol
LogP3.19
Rot. Bonds5

About N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine

N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine (PubChem CID 95325394) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine
PubChem CID95325394
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine
SMILESO=[S@](CCNc1nc2ccccc2o1)c1ccccc1F
InChIInChI=1S/C15H13FN2O2S/c16-11-5-1-4-8-14(11)21(19)10-9-17-15-18-12-6-2-3-7-13(12)20-15/h1-8H,9-10H2,(H,17,18)/t21-/m1/s1
InChIKeyBBNBOQQIMHKIAU-OAQYLSRUSA-N
XLogP3.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine (CID 95325394) is N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine is O=[S@](CCNc1nc2ccccc2o1)c1ccccc1F.
What is the InChIKey of N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is BBNBOQQIMHKIAU-OAQYLSRUSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-11-5-1-4-8-14(11)21(19)10-9-17-15-18-12-6-2-3-7-13(12)20-15/h1-8H,9-10H2,(H,17,18)/t21-/m1/s1.
What are the key properties of N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine?
N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine has a molecular weight of 304.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 95325394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).