4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine

C12H12N4O — CID 117328774

IUPAC4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccccc1C1=NCCO1
InChIInChI=1S/C12H12N4O/c13-11-10(7-15-16-11)8-3-1-2-4-9(8)12-14-5-6-17-12/h1-4,7H,5-6H2,(H3,13,15,16)
InChIKeyRNKWNCFVXPTAPX-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.44
Rot. Bonds2

About 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine

4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117328774) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
PubChem CID117328774
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccccc1C1=NCCO1
InChIInChI=1S/C12H12N4O/c13-11-10(7-15-16-11)8-3-1-2-4-9(8)12-14-5-6-17-12/h1-4,7H,5-6H2,(H3,13,15,16)
InChIKeyRNKWNCFVXPTAPX-UHFFFAOYSA-N
XLogP1.44
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine (CID 117328774) is 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccccc1C1=NCCO1.
What is the InChIKey of 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is RNKWNCFVXPTAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-11-10(7-15-16-11)8-3-1-2-4-9(8)12-14-5-6-17-12/h1-4,7H,5-6H2,(H3,13,15,16).
What are the key properties of 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine?
4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 228.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117328774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).