N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide

C22H26ClFN4O5 — CID 91004874

IUPACN'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2cc(F)c(OCC3COC(C)(C)N3)cc2Cl)cn1
InChIInChI=1S/C22H26ClFN4O5/c1-12(2)33-19-6-5-13(9-25-19)20(29)27-28-21(30)15-7-17(24)18(8-16(15)23)31-10-14-11-32-22(3,4)26-14/h5-9,12,14,26H,10-11H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyQIBFHZIUMHXWSS-UHFFFAOYSA-N
MW480.92 g/mol
LogP2.84
Rot. Bonds7

About N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide

N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide (PubChem CID 91004874) has the molecular formula C22H26ClFN4O5 and a molecular weight of 480.92 g/mol. Its IUPAC name is N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide
PubChem CID91004874
Molecular FormulaC22H26ClFN4O5
Molecular Weight480.92 g/mol
Exact Mass480.16
IUPAC NameN'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2cc(F)c(OCC3COC(C)(C)N3)cc2Cl)cn1
InChIInChI=1S/C22H26ClFN4O5/c1-12(2)33-19-6-5-13(9-25-19)20(29)27-28-21(30)15-7-17(24)18(8-16(15)23)31-10-14-11-32-22(3,4)26-14/h5-9,12,14,26H,10-11H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyQIBFHZIUMHXWSS-UHFFFAOYSA-N
XLogP2.84
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide?
The IUPAC name of N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide (CID 91004874) is N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide is CC(C)Oc1ccc(C(=O)NNC(=O)c2cc(F)c(OCC3COC(C)(C)N3)cc2Cl)cn1.
What is the InChIKey of N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide?
The InChIKey is QIBFHZIUMHXWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O5/c1-12(2)33-19-6-5-13(9-25-19)20(29)27-28-21(30)15-7-17(24)18(8-16(15)23)31-10-14-11-32-22(3,4)26-14/h5-9,12,14,26H,10-11H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide?
N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide has a molecular weight of 480.92 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-4-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]-5-fluorobenzoyl]-6-propan-2-yloxypyridine-3-carbohydrazide is sourced from PubChem (CID 91004874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).