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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide
CID 51318385
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 46693046
3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 9416941
2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16603650
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
6-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 106925597
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole
CID 86819462
N-(2-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 55495881
5-(4-fluorophenyl)-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,3-oxazole
CID 78892959
2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole
CID 166332484
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46692849

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).