3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine

C22H18N2O2S — CID 144638030

IUPAC3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine
SMILESNc1conc1-c1ccc(OCc2ccc(Sc3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N2O2S/c23-21-15-26-24-22(21)17-8-10-18(11-9-17)25-14-16-6-12-20(13-7-16)27-19-4-2-1-3-5-19/h1-13,15H,14,23H2
InChIKeyKMJPXQJFVIZDLB-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.65
Rot. Bonds6

About 3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine

3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine (PubChem CID 144638030) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine
PubChem CID144638030
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine
SMILESNc1conc1-c1ccc(OCc2ccc(Sc3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N2O2S/c23-21-15-26-24-22(21)17-8-10-18(11-9-17)25-14-16-6-12-20(13-7-16)27-19-4-2-1-3-5-19/h1-13,15H,14,23H2
InChIKeyKMJPXQJFVIZDLB-UHFFFAOYSA-N
XLogP5.65
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine
CID 144638025
3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine
CID 118489513
3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole
CID 143364999
4-phenylmethoxyaniline
CID 159966727
4-(phenoxymethyl)aniline
CID 12712561
2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine
CID 54075621
2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 7680870
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
1-(methoxymethyl)-4-phenylsulfanylbenzene
CID 174608576
3-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008157
2-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]acetyl chloride
CID 87260314
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine?
The IUPAC name of 3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine (CID 144638030) is 3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine?
The canonical SMILES for 3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine is Nc1conc1-c1ccc(OCc2ccc(Sc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine?
The InChIKey is KMJPXQJFVIZDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c23-21-15-26-24-22(21)17-8-10-18(11-9-17)25-14-16-6-12-20(13-7-16)27-19-4-2-1-3-5-19/h1-13,15H,14,23H2.
What are the key properties of 3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine?
3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine has a molecular weight of 374.47 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 144638030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).