3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C12H9ClF3N3O2 — CID 138026736

IUPAC3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccon1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H9ClF3N3O2/c13-9-5-7(12(14,15)16)6-18-10(9)11(20)17-3-1-8-2-4-21-19-8/h2,4-6H,1,3H2,(H,17,20)
InChIKeyMPOMVLRZMKMWLO-UHFFFAOYSA-N
MW319.67 g/mol
LogP2.71
Rot. Bonds4

About 3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 138026736) has the molecular formula C12H9ClF3N3O2 and a molecular weight of 319.67 g/mol. Its IUPAC name is 3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID138026736
Molecular FormulaC12H9ClF3N3O2
Molecular Weight319.67 g/mol
Exact Mass319.03
IUPAC Name3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccon1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H9ClF3N3O2/c13-9-5-7(12(14,15)16)6-18-10(9)11(20)17-3-1-8-2-4-21-19-8/h2,4-6H,1,3H2,(H,17,20)
InChIKeyMPOMVLRZMKMWLO-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-amino-3-pyridinyl)methyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166319423
3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 167759690
3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138023481
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide
CID 10139692
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
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CID 139035182
3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 2779745
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-iodobenzamide
CID 74767005
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 22027356
N-[[2-(butylcarbamoyl)-4,6-dichlorophenyl]carbamothioyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 175235017

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 138026736) is 3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCCc1ccon1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MPOMVLRZMKMWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O2/c13-9-5-7(12(14,15)16)6-18-10(9)11(20)17-3-1-8-2-4-21-19-8/h2,4-6H,1,3H2,(H,17,20).
What are the key properties of 3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 319.67 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 138026736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).