3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C13H10ClFN4O2 — CID 19489595

IUPAC3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C13H10ClFN4O2/c14-7-2-1-3-8(15)12(7)9-6-10(21-19-9)13(20)17-11-4-5-16-18-11/h1-5,10H,6H2,(H2,16,17,18,20)
InChIKeyVNTSITUXUDTPAM-UHFFFAOYSA-N
MW308.70 g/mol
LogP2.33
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19489595) has the molecular formula C13H10ClFN4O2 and a molecular weight of 308.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19489595
Molecular FormulaC13H10ClFN4O2
Molecular Weight308.70 g/mol
Exact Mass308.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C13H10ClFN4O2/c14-7-2-1-3-8(15)12(7)9-6-10(21-19-9)13(20)17-11-4-5-16-18-11/h1-5,10H,6H2,(H2,16,17,18,20)
InChIKeyVNTSITUXUDTPAM-UHFFFAOYSA-N
XLogP2.33
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19489595) is 3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccn[nH]1)C1CC(c2c(F)cccc2Cl)=NO1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VNTSITUXUDTPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O2/c14-7-2-1-3-8(15)12(7)9-6-10(21-19-9)13(20)17-11-4-5-16-18-11/h1-5,10H,6H2,(H2,16,17,18,20).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 308.70 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19489595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).