N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide

C20H22FN5O2 — CID 46970730

IUPACN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCCN1CCC(n2nccc2NC(=O)c2cc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C20H22FN5O2/c1-2-25-11-8-14(9-12-25)26-19(7-10-22-26)23-20(27)18-13-17(24-28-18)15-5-3-4-6-16(15)21/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,23,27)
InChIKeyLSDCUCMAGRHDQG-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide

N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 46970730) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID46970730
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCCN1CCC(n2nccc2NC(=O)c2cc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C20H22FN5O2/c1-2-25-11-8-14(9-12-25)26-19(7-10-22-26)23-20(27)18-13-17(24-28-18)15-5-3-4-6-16(15)21/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,23,27)
InChIKeyLSDCUCMAGRHDQG-UHFFFAOYSA-N
XLogP3.59
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide (CID 46970730) is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide is CCN1CCC(n2nccc2NC(=O)c2cc(-c3ccccc3F)no2)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is LSDCUCMAGRHDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-2-25-11-8-14(9-12-25)26-19(7-10-22-26)23-20(27)18-13-17(24-28-18)15-5-3-4-6-16(15)21/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,23,27).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide?
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46970730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).