4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine

C14H10F2N2OS — CID 66201498

IUPAC4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccc(F)cc2F)s1
InChIInChI=1S/C14H10F2N2OS/c1-7-2-5-11(20-7)13-12(14(17)18-19-13)9-4-3-8(15)6-10(9)16/h2-6H,1H3,(H2,17,18)
InChIKeyZMLLMHJNGARSDF-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.24
Rot. Bonds2

About 4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine

4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 66201498) has the molecular formula C14H10F2N2OS and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID66201498
Molecular FormulaC14H10F2N2OS
Molecular Weight292.31 g/mol
Exact Mass292.05
IUPAC Name4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccc(F)cc2F)s1
InChIInChI=1S/C14H10F2N2OS/c1-7-2-5-11(20-7)13-12(14(17)18-19-13)9-4-3-8(15)6-10(9)16/h2-6H,1H3,(H2,17,18)
InChIKeyZMLLMHJNGARSDF-UHFFFAOYSA-N
XLogP4.24
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66202081
4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204007
5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 103407025
5-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199002
4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 66199685
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66201692
4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
CID 104643350
4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
CID 66201306
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274
4-(2,4-difluorophenyl)-5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66202082
5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66203816

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine (CID 66201498) is 4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2-c2ccc(F)cc2F)s1.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is ZMLLMHJNGARSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2OS/c1-7-2-5-11(20-7)13-12(14(17)18-19-13)9-4-3-8(15)6-10(9)16/h2-6H,1H3,(H2,17,18).
What are the key properties of 4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 292.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66201498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).