N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine

C13H15FN2OS — CID 106926423

IUPACN-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Sc2ncco2)c(F)c1
InChIInChI=1S/C13H15FN2OS/c1-9(2)16-8-10-3-4-12(11(14)7-10)18-13-15-5-6-17-13/h3-7,9,16H,8H2,1-2H3
InChIKeyUXNFHMUZEJTVJF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.46
Rot. Bonds5

About N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine

N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 106926423) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID106926423
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC NameN-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Sc2ncco2)c(F)c1
InChIInChI=1S/C13H15FN2OS/c1-9(2)16-8-10-3-4-12(11(14)7-10)18-13-15-5-6-17-13/h3-7,9,16H,8H2,1-2H3
InChIKeyUXNFHMUZEJTVJF-UHFFFAOYSA-N
XLogP3.46
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-pyrimidin-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63805505
N-[[5-bromo-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 114062087
N-[[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 79332857
5-(ethylaminomethyl)-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 114063963
1-[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 106926417
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 63809390
1-[3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 106927064
N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
CID 106926421
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine
CID 158055117
N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687443
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine (CID 106926423) is N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Sc2ncco2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is UXNFHMUZEJTVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-9(2)16-8-10-3-4-12(11(14)7-10)18-13-15-5-6-17-13/h3-7,9,16H,8H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106926423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).