(5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H14F2N4O2 — CID 95623070

IUPAC(5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)cn1
InChIInChI=1S/C15H14F2N4O2/c1-2-21-8-10(7-18-21)19-15(22)14-6-13(20-23-14)11-5-9(16)3-4-12(11)17/h3-5,7-8,14H,2,6H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyTZYNXKTUFZHVJK-AWEZNQCLSA-N
MW320.30 g/mol
LogP2.31
Rot. Bonds4

About (5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95623070) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is (5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95623070
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name(5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)cn1
InChIInChI=1S/C15H14F2N4O2/c1-2-21-8-10(7-18-21)19-15(22)14-6-13(20-23-14)11-5-9(16)3-4-12(11)17/h3-5,7-8,14H,2,6H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyTZYNXKTUFZHVJK-AWEZNQCLSA-N
XLogP2.31
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95623070) is (5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1cc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)cn1.
What is the InChIKey of (5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is TZYNXKTUFZHVJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c1-2-21-8-10(7-18-21)19-15(22)14-6-13(20-23-14)11-5-9(16)3-4-12(11)17/h3-5,7-8,14H,2,6H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 320.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95623070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).