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

C14H11FN2O2 — CID 66198177

IUPAC4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
SMILESCc1occc1-c1onc(N)c1-c1cccc(F)c1
InChIInChI=1S/C14H11FN2O2/c1-8-11(5-6-18-8)13-12(14(16)17-19-13)9-3-2-4-10(15)7-9/h2-7H,1H3,(H2,16,17)
InChIKeyVBCPPAPPTSQSSB-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.63
Rot. Bonds2

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

4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine (PubChem CID 66198177) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
PubChem CID66198177
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
SMILESCc1occc1-c1onc(N)c1-c1cccc(F)c1
InChIInChI=1S/C14H11FN2O2/c1-8-11(5-6-18-8)13-12(14(16)17-19-13)9-3-2-4-10(15)7-9/h2-7H,1H3,(H2,16,17)
InChIKeyVBCPPAPPTSQSSB-UHFFFAOYSA-N
XLogP3.63
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198480
5-(5-fluoro-2-methylphenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66197977
4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198425
5-(4-bromo-2-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198773
5-(2-methylfuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66204587
5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198577
5-(2-bromo-6-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 114561326
5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198579
5-(4-bromo-2-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199777
5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198188
4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66200401
4-(4-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66199843

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine (CID 66198177) is 4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine is Cc1occc1-c1onc(N)c1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
The InChIKey is VBCPPAPPTSQSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-8-11(5-6-18-8)13-12(14(16)17-19-13)9-3-2-4-10(15)7-9/h2-7H,1H3,(H2,16,17).
What are the key properties of 4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine?
4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine has a molecular weight of 258.25 g/mol, XLogP of 3.63, 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-(2-methylfuran-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).