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

C15H12F2N2OS — CID 79975298

IUPAC4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCCc1ccsc1-c1onc(N)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2N2OS/c1-2-8-3-4-21-14(8)13-12(15(18)19-20-13)9-5-10(16)7-11(17)6-9/h3-7H,2H2,1H3,(H2,18,19)
InChIKeyNCQZINWCCQEQKQ-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.49
Rot. Bonds3

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

4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 79975298) has the molecular formula C15H12F2N2OS and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID79975298
Molecular FormulaC15H12F2N2OS
Molecular Weight306.34 g/mol
Exact Mass306.06
IUPAC Name4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCCc1ccsc1-c1onc(N)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2N2OS/c1-2-8-3-4-21-14(8)13-12(15(18)19-20-13)9-5-10(16)7-11(17)6-9/h3-7H,2H2,1H3,(H2,18,19)
InChIKeyNCQZINWCCQEQKQ-UHFFFAOYSA-N
XLogP4.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine (CID 79975298) is 4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine is CCc1ccsc1-c1onc(N)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is NCQZINWCCQEQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2OS/c1-2-8-3-4-21-14(8)13-12(15(18)19-20-13)9-5-10(16)7-11(17)6-9/h3-7H,2H2,1H3,(H2,18,19).
What are the key properties of 4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 306.34 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79975298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).