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

C20H23FN4O2 — CID 46975568

IUPAC3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)NCC(C)(C)c3ccccc3F)on2)c1C
InChIInChI=1S/C20H23FN4O2/c1-5-25-13(2)14(11-23-25)17-10-18(27-24-17)19(26)22-12-20(3,4)15-8-6-7-9-16(15)21/h6-11H,5,12H2,1-4H3,(H,22,26)
InChIKeyNLKBPWBMHRZVQA-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.71
Rot. Bonds6

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

3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide (PubChem CID 46975568) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide
PubChem CID46975568
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)NCC(C)(C)c3ccccc3F)on2)c1C
InChIInChI=1S/C20H23FN4O2/c1-5-25-13(2)14(11-23-25)17-10-18(27-24-17)19(26)22-12-20(3,4)15-8-6-7-9-16(15)21/h6-11H,5,12H2,1-4H3,(H,22,26)
InChIKeyNLKBPWBMHRZVQA-UHFFFAOYSA-N
XLogP3.71
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.71
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-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide (CID 46975568) is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide is CCn1ncc(-c2cc(C(=O)NCC(C)(C)c3ccccc3F)on2)c1C.
What is the InChIKey of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NLKBPWBMHRZVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-5-25-13(2)14(11-23-25)17-10-18(27-24-17)19(26)22-12-20(3,4)15-8-6-7-9-16(15)21/h6-11H,5,12H2,1-4H3,(H,22,26).
What are the key properties of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide?
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.71, 6 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-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46975568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).