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

C13H11FN4O — CID 103119567

IUPAC4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
SMILESCn1ccc(-c2noc(N)c2-c2ccccc2F)n1
InChIInChI=1S/C13H11FN4O/c1-18-7-6-10(16-18)12-11(13(15)19-17-12)8-4-2-3-5-9(8)14/h2-7H,15H2,1H3
InChIKeyXPKSUEACBBPNAP-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.46
Rot. Bonds2

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

4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine (PubChem CID 103119567) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
PubChem CID103119567
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
SMILESCn1ccc(-c2noc(N)c2-c2ccccc2F)n1
InChIInChI=1S/C13H11FN4O/c1-18-7-6-10(16-18)12-11(13(15)19-17-12)8-4-2-3-5-9(8)14/h2-7H,15H2,1H3
InChIKeyXPKSUEACBBPNAP-UHFFFAOYSA-N
XLogP2.46
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119587
4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119586
4-(2-fluorophenyl)-1-methyl-3-(1-methylpyrazol-3-yl)pyrazol-5-amine
CID 103118815
4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79213593
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 103119559
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107972774
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
3-(3-bromo-5-chlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107955314
4-(2-fluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552624
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107001956

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine (CID 103119567) is 4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine is Cn1ccc(-c2noc(N)c2-c2ccccc2F)n1.
What is the InChIKey of 4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
The InChIKey is XPKSUEACBBPNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-18-7-6-10(16-18)12-11(13(15)19-17-12)8-4-2-3-5-9(8)14/h2-7H,15H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine?
4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine has a molecular weight of 258.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 103119567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).