3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H22N4O2 — CID 6623050

IUPAC3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)NCC(C)C)C2)c1C
InChIInChI=1S/C14H22N4O2/c1-5-18-10(4)11(8-16-18)12-6-13(20-17-12)14(19)15-7-9(2)3/h8-9,13H,5-7H2,1-4H3,(H,15,19)
InChIKeyWEJZLRWOAUUYGQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.48
Rot. Bonds5

About 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 6623050) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID6623050
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)NCC(C)C)C2)c1C
InChIInChI=1S/C14H22N4O2/c1-5-18-10(4)11(8-16-18)12-6-13(20-17-12)14(19)15-7-9(2)3/h8-9,13H,5-7H2,1-4H3,(H,15,19)
InChIKeyWEJZLRWOAUUYGQ-UHFFFAOYSA-N
XLogP1.48
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 6623050) is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1ncc(C2=NOC(C(=O)NCC(C)C)C2)c1C.
What is the InChIKey of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WEJZLRWOAUUYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-18-10(4)11(8-16-18)12-6-13(20-17-12)14(19)15-7-9(2)3/h8-9,13H,5-7H2,1-4H3,(H,15,19).
What are the key properties of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6623050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).