3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine

C14H10F2N2O2S — CID 62503084

IUPAC3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccc(OC(F)F)c2)c1-c1cccs1
InChIInChI=1S/C14H10F2N2O2S/c15-14(16)19-9-4-1-3-8(7-9)12-11(13(17)20-18-12)10-5-2-6-21-10/h1-7,14H,17H2
InChIKeyPCHJQGRRZNAAHK-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.25
Rot. Bonds4

About 3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine

3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62503084) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62503084
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC Name3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccc(OC(F)F)c2)c1-c1cccs1
InChIInChI=1S/C14H10F2N2O2S/c15-14(16)19-9-4-1-3-8(7-9)12-11(13(17)20-18-12)10-5-2-6-21-10/h1-7,14H,17H2
InChIKeyPCHJQGRRZNAAHK-UHFFFAOYSA-N
XLogP4.25
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 62503084) is 3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2cccc(OC(F)F)c2)c1-c1cccs1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is PCHJQGRRZNAAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c15-14(16)19-9-4-1-3-8(7-9)12-11(13(17)20-18-12)10-5-2-6-21-10/h1-7,14H,17H2.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 308.31 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62503084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).