(3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide

C19H20ClF3N4O3 — CID 40822556

About (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide

(3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide (PubChem CID 40822556) has the molecular formula C19H20ClF3N4O3 and a molecular weight of 444.84 g/mol. Its IUPAC name is (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide.

Molecular Properties

• Compound Name: (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide
• PubChem CID: 40822556
• Molecular Formula: C19H20ClF3N4O3
• Molecular Weight: 444.84 g/mol
• Exact Mass: 444.12
• IUPAC Name: (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide
• SMILES: COc1ccc([C@@H]2C[C@H](C(=O)NN(C)c3ncc(C(F)(F)F)cc3Cl)ON2C)cc1
• InChI: InChI=1S/C19H20ClF3N4O3/c1-26(17-14(20)8-12(10-24-17)19(21,22)23)25-18(28)16-9-15(27(2)30-16)11-4-6-13(29-3)7-5-11/h4-8,10,15-16H,9H2,1-3H3,(H,25,28)/t15-,16+/m0/s1
• InChIKey: QVAXYZOIXRDYQC-JKSUJKDBSA-N
• XLogP: 3.61
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.84
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide?

The IUPAC name of (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide (CID 40822556) is (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide.

What is the SMILES notation for (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide?

The canonical SMILES for (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide is COc1ccc([C@@H]2C[C@H](C(=O)NN(C)c3ncc(C(F)(F)F)cc3Cl)ON2C)cc1.

What is the InChIKey of (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide?

The InChIKey is QVAXYZOIXRDYQC-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H20ClF3N4O3/c1-26(17-14(20)8-12(10-24-17)19(21,22)23)25-18(28)16-9-15(27(2)30-16)11-4-6-13(29-3)7-5-11/h4-8,10,15-16H,9H2,1-3H3,(H,25,28)/t15-,16+/m0/s1.

What are the key properties of (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide?

(3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide has a molecular weight of 444.84 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)-N',2-dimethyl-1,2-oxazolidine-5-carbohydrazide is sourced from PubChem (CID 40822556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).