(5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide

C11H11ClF3N5O2 — CID 737262

IUPAC(5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H11ClF3N5O2/c12-7-1-5(11(13,14)15)3-17-9(7)18-4-6-2-8(20-22-6)10(21)19-16/h1,3,6H,2,4,16H2,(H,17,18)(H,19,21)/t6-/m1/s1
InChIKeyXSXVLPQGBWGWDB-ZCFIWIBFSA-N
MW337.69 g/mol
LogP1.30
Rot. Bonds4

About (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide

(5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide (PubChem CID 737262) has the molecular formula C11H11ClF3N5O2 and a molecular weight of 337.69 g/mol. Its IUPAC name is (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name(5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
PubChem CID737262
Molecular FormulaC11H11ClF3N5O2
Molecular Weight337.69 g/mol
Exact Mass337.06
IUPAC Name(5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H11ClF3N5O2/c12-7-1-5(11(13,14)15)3-17-9(7)18-4-6-2-8(20-22-6)10(21)19-16/h1,3,6H,2,4,16H2,(H,17,18)(H,19,21)/t6-/m1/s1
InChIKeyXSXVLPQGBWGWDB-ZCFIWIBFSA-N
XLogP1.30
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.69
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxamide
CID 2765101
[5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl](morpholino)methanone
CID 2765114
1-[5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-1-ethanone
CID 4268252
4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-N'-(2-cyanoethanimidoyl)butanohydrazide
CID 16195052
5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-N-[(methoxyamino)methylene]-4,5-dihydro-3-isoxazolecarboxamide
CID 135423149
5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarbohydrazide
CID 2773870
5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylic acid
CID 2773871
5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-N-cyclopropyl-4,5-dihydro-3-isoxazolecarboxamide
CID 3719374
Ethyl 5-({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}carbonyl)-4,5-dihydro-3-isoxazolecarboxylate
CID 3811416
Ethyl 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylate
CID 4264967
5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-N-[(hydroxyamino)methylene]-4,5-dihydro-3-isoxazolecarboxamide
CID 135473475
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}butanohydrazide
CID 4322089

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
The IUPAC name of (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide (CID 737262) is (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide is NNC(=O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
The InChIKey is XSXVLPQGBWGWDB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11ClF3N5O2/c12-7-1-5(11(13,14)15)3-17-9(7)18-4-6-2-8(20-22-6)10(21)19-16/h1,3,6H,2,4,16H2,(H,17,18)(H,19,21)/t6-/m1/s1.
What are the key properties of (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
(5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide has a molecular weight of 337.69 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 737262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).