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

C14H11FN2OS — CID 66198179

IUPAC4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2cccc(F)c2)s1
InChIInChI=1S/C14H11FN2OS/c1-8-5-6-11(19-8)13-12(14(16)17-18-13)9-3-2-4-10(15)7-9/h2-7H,1H3,(H2,16,17)
InChIKeyOLYIAHLZYVOCCZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.10
Rot. Bonds2

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

4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 66198179) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID66198179
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2cccc(F)c2)s1
InChIInChI=1S/C14H11FN2OS/c1-8-5-6-11(19-8)13-12(14(16)17-18-13)9-3-2-4-10(15)7-9/h2-7H,1H3,(H2,16,17)
InChIKeyOLYIAHLZYVOCCZ-UHFFFAOYSA-N
XLogP4.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine (CID 66198179) is 4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2-c2cccc(F)c2)s1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is OLYIAHLZYVOCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-8-5-6-11(19-8)13-12(14(16)17-18-13)9-3-2-4-10(15)7-9/h2-7H,1H3,(H2,16,17).
What are the key properties of 4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 274.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).