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

C12H9FN4O — CID 66198144

IUPAC4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccn[nH]2)c1-c1ccc(F)cc1
InChIInChI=1S/C12H9FN4O/c13-8-3-1-7(2-4-8)10-11(18-17-12(10)14)9-5-6-15-16-9/h1-6H,(H2,14,17)(H,15,16)
InChIKeyKAWGDCQORMOBSG-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.45
Rot. Bonds2

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

4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine (PubChem CID 66198144) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine
PubChem CID66198144
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccn[nH]2)c1-c1ccc(F)cc1
InChIInChI=1S/C12H9FN4O/c13-8-3-1-7(2-4-8)10-11(18-17-12(10)14)9-5-6-15-16-9/h1-6H,(H2,14,17)(H,15,16)
InChIKeyKAWGDCQORMOBSG-UHFFFAOYSA-N
XLogP2.45
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 106690632
5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 103222593
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
4-(3,5-difluorophenyl)-5-pyridin-2-yl-1,2-oxazol-3-amine
CID 66201880
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63078369
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122
5-(3-bromo-5-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80524785
5-(4-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198769
5-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 66202073
5-butan-2-yl-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66198336
4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522867

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine (CID 66198144) is 4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine is Nc1noc(-c2ccn[nH]2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine?
The InChIKey is KAWGDCQORMOBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c13-8-3-1-7(2-4-8)10-11(18-17-12(10)14)9-5-6-15-16-9/h1-6H,(H2,14,17)(H,15,16).
What are the key properties of 4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine?
4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine has a molecular weight of 244.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).