6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine

C15H12FN3OS — CID 99833921

IUPAC6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine
SMILESNc1cccc(CSc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C15H12FN3OS/c16-11-6-4-10(5-7-11)13-8-18-15(20-13)21-9-12-2-1-3-14(17)19-12/h1-8H,9H2,(H2,17,19)
InChIKeyPGLLLENOVKKYRH-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.75
Rot. Bonds4

About 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine

6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine (PubChem CID 99833921) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine
PubChem CID99833921
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine
SMILESNc1cccc(CSc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C15H12FN3OS/c16-11-6-4-10(5-7-11)13-8-18-15(20-13)21-9-12-2-1-3-14(17)19-12/h1-8H,9H2,(H2,17,19)
InChIKeyPGLLLENOVKKYRH-UHFFFAOYSA-N
XLogP3.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine (CID 99833921) is 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine is Nc1cccc(CSc2ncc(-c3ccc(F)cc3)o2)n1.
What is the InChIKey of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine?
The InChIKey is PGLLLENOVKKYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-11-6-4-10(5-7-11)13-8-18-15(20-13)21-9-12-2-1-3-14(17)19-12/h1-8H,9H2,(H2,17,19).
What are the key properties of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine?
6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 99833921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).