[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone

C14H20N4O2 — CID 45106321

IUPAC[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1cc(C2=NOC(C(=O)N3CCCC3)C2)c(C)n1
InChIInChI=1S/C14H20N4O2/c1-3-18-9-11(10(2)15-18)12-8-13(20-16-12)14(19)17-6-4-5-7-17/h9,13H,3-8H2,1-2H3
InChIKeyJVDGEMQQRMJJHI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.33
Rot. Bonds3

About [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone

[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45106321) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID45106321
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1cc(C2=NOC(C(=O)N3CCCC3)C2)c(C)n1
InChIInChI=1S/C14H20N4O2/c1-3-18-9-11(10(2)15-18)12-8-13(20-16-12)14(19)17-6-4-5-7-17/h9,13H,3-8H2,1-2H3
InChIKeyJVDGEMQQRMJJHI-UHFFFAOYSA-N
XLogP1.33
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (CID 45106321) is [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is CCn1cc(C2=NOC(C(=O)N3CCCC3)C2)c(C)n1.
What is the InChIKey of [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JVDGEMQQRMJJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-18-9-11(10(2)15-18)12-8-13(20-16-12)14(19)17-6-4-5-7-17/h9,13H,3-8H2,1-2H3.
What are the key properties of [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 276.34 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45106321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).