[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine

C13H12N4O — CID 81470577

IUPAC[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine
SMILESNCc1cnoc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H12N4O/c14-6-10-8-16-18-13(10)11-7-15-17(9-11)12-4-2-1-3-5-12/h1-5,7-9H,6,14H2
InChIKeyFNRYDLHBRFAOHN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.99
Rot. Bonds3

About [5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine

[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine (PubChem CID 81470577) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is [5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine
PubChem CID81470577
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine
SMILESNCc1cnoc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H12N4O/c14-6-10-8-16-18-13(10)11-7-15-17(9-11)12-4-2-1-3-5-12/h1-5,7-9H,6,14H2
InChIKeyFNRYDLHBRFAOHN-UHFFFAOYSA-N
XLogP1.99
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methyl]cyclopropanamine
CID 81452642
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
3,3,3-trifluoro-2-(1-phenylpyrazol-4-yl)propan-1-amine
CID 82534378
3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
CID 10355283
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 112727546
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
1-[5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862087
1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
1-phenyl-4-thiophen-3-ylpyrazole
CID 78210279
[5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine
CID 62771688
2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 16790422

Frequently Asked Questions

What is the IUPAC name of [5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine (CID 81470577) is [5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine is NCc1cnoc1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of [5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is FNRYDLHBRFAOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-6-10-8-16-18-13(10)11-7-15-17(9-11)12-4-2-1-3-5-12/h1-5,7-9H,6,14H2.
What are the key properties of [5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine?
[5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 240.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 81470577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).