N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide

C12H9ClF3N5O3 — CID 2773876

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(=O)NN)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H9ClF3N5O3/c1-4-7(8(21-24-4)11(23)20-17)10(22)19-9-6(13)2-5(3-18-9)12(14,15)16/h2-3H,17H2,1H3,(H,20,23)(H,18,19,22)
InChIKeyPWOINBCDSXSSCD-UHFFFAOYSA-N
MW363.68 g/mol
LogP1.91
Rot. Bonds3

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2773876) has the molecular formula C12H9ClF3N5O3 and a molecular weight of 363.68 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2773876
Molecular FormulaC12H9ClF3N5O3
Molecular Weight363.68 g/mol
Exact Mass363.03
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(=O)NN)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H9ClF3N5O3/c1-4-7(8(21-24-4)11(23)20-17)10(22)19-9-6(13)2-5(3-18-9)12(14,15)16/h2-3H,17H2,1H3,(H,20,23)(H,18,19,22)
InChIKeyPWOINBCDSXSSCD-UHFFFAOYSA-N
XLogP1.91
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 51.91
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 2773876) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(C(=O)NN)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PWOINBCDSXSSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N5O3/c1-4-7(8(21-24-4)11(23)20-17)10(22)19-9-6(13)2-5(3-18-9)12(14,15)16/h2-3H,17H2,1H3,(H,20,23)(H,18,19,22).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 363.68 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2773876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).