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

C15H12FN3OS — CID 43301701

IUPAC5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2coc(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C15H12FN3OS/c16-11-3-1-10(2-4-11)15-19-12(8-20-15)9-21-13-5-6-14(17)18-7-13/h1-8H,9H2,(H2,17,18)
InChIKeySNMTYPSHMFZDBV-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.75
Rot. Bonds4

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

5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine (PubChem CID 43301701) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine
PubChem CID43301701
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2coc(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C15H12FN3OS/c16-11-3-1-10(2-4-11)15-19-12(8-20-15)9-21-13-5-6-14(17)18-7-13/h1-8H,9H2,(H2,17,18)
InChIKeySNMTYPSHMFZDBV-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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Related Compounds

5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301756
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]aniline
CID 43299130
4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 78845847
2-amino-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid
CID 43414263
4-fluoro-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 79127403
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 33276229
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
CID 66114740
4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 24668922
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 31825741
5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine
CID 43302227

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine (CID 43301701) is 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2coc(-c3ccc(F)cc3)n2)cn1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine?
The InChIKey is SNMTYPSHMFZDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-11-3-1-10(2-4-11)15-19-12(8-20-15)9-21-13-5-6-14(17)18-7-13/h1-8H,9H2,(H2,17,18).
What are the key properties of 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine?
5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]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 5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43301701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).