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

C14H10F2N2OS — CID 66202081

IUPAC4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccsc1-c1onc(N)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2OS/c1-7-4-5-20-13(7)12-11(14(17)18-19-12)9-3-2-8(15)6-10(9)16/h2-6H,1H3,(H2,17,18)
InChIKeyCEUDTPOTXBGMIW-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.24
Rot. Bonds2

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

4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 66202081) has the molecular formula C14H10F2N2OS and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID66202081
Molecular FormulaC14H10F2N2OS
Molecular Weight292.31 g/mol
Exact Mass292.05
IUPAC Name4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccsc1-c1onc(N)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2OS/c1-7-4-5-20-13(7)12-11(14(17)18-19-12)9-3-2-8(15)6-10(9)16/h2-6H,1H3,(H2,17,18)
InChIKeyCEUDTPOTXBGMIW-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

5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 103407025
4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66201498
4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204007
4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
CID 66201306
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
4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
CID 104643350
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66201692
4-(2,4-difluorophenyl)-5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66202082
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274
5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66203816
5-(2,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199984

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine (CID 66202081) is 4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine is Cc1ccsc1-c1onc(N)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is CEUDTPOTXBGMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2OS/c1-7-4-5-20-13(7)12-11(14(17)18-19-12)9-3-2-8(15)6-10(9)16/h2-6H,1H3,(H2,17,18).
What are the key properties of 4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine?
4-(2,4-difluorophenyl)-5-(3-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-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66202081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).