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

C8H9N3O2 — CID 114763744

IUPAC3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one
SMILESCCn1cc(C2=NOC(=O)C2)cn1
InChIInChI=1S/C8H9N3O2/c1-2-11-5-6(4-9-11)7-3-8(12)13-10-7/h4-5H,2-3H2,1H3
InChIKeyFUUSAXMELJZNPY-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.55
Rot. Bonds2

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

3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one (PubChem CID 114763744) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one
PubChem CID114763744
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one
SMILESCCn1cc(C2=NOC(=O)C2)cn1
InChIInChI=1S/C8H9N3O2/c1-2-11-5-6(4-9-11)7-3-8(12)13-10-7/h4-5H,2-3H2,1H3
InChIKeyFUUSAXMELJZNPY-UHFFFAOYSA-N
XLogP0.55
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 7247937
6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one
CID 106515932
2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 103570351
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
3-(1-ethylpyrazol-4-yl)-1H-pyrazin-2-one
CID 103571127
4-(4-tert-butylphenyl)-1-ethylpyrazole
CID 126653145
[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165479252
7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 172877621
4-(1-ethylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 62800475
5-(1-ethylpyrazol-4-yl)-2-methylpyridine
CID 58399288
3-pyran-2-yl-4H-1,2-oxazol-5-one
CID 163685288
1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 121199999

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one (CID 114763744) is 3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one is CCn1cc(C2=NOC(=O)C2)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one?
The InChIKey is FUUSAXMELJZNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-11-5-6(4-9-11)7-3-8(12)13-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one?
3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one has a molecular weight of 179.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 114763744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).