4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one

C12H10N4O2 — CID 114239573

IUPAC4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one
SMILESNC1=NC(=O)OC1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H10N4O2/c13-11-10(18-12(17)15-11)8-6-14-16(7-8)9-4-2-1-3-5-9/h1-7,10H,(H2,13,15,17)
InChIKeyBTOOHDJBHGIAPP-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.42
Rot. Bonds2

About 4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one

4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one (PubChem CID 114239573) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one
PubChem CID114239573
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one
SMILESNC1=NC(=O)OC1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H10N4O2/c13-11-10(18-12(17)15-11)8-6-14-16(7-8)9-4-2-1-3-5-9/h1-7,10H,(H2,13,15,17)
InChIKeyBTOOHDJBHGIAPP-UHFFFAOYSA-N
XLogP1.42
TPSA82.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-ethyl-2-methyl-3-(1-phenylpyrazol-4-yl)cyclobutan-1-one
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(5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
CID 58126784
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4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
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CID 81470577
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CID 82557096
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one?
The IUPAC name of 4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one (CID 114239573) is 4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one.
What is the SMILES notation for 4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one?
The canonical SMILES for 4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one is NC1=NC(=O)OC1c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one?
The InChIKey is BTOOHDJBHGIAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-11-10(18-12(17)15-11)8-6-14-16(7-8)9-4-2-1-3-5-9/h1-7,10H,(H2,13,15,17).
What are the key properties of 4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one?
4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one has a molecular weight of 242.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one is sourced from PubChem (CID 114239573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).