N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide

C17H14Cl2N4O3S — CID 24609308

IUPACN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)c2c(C)noc2n1
InChIInChI=1S/C17H14Cl2N4O3S/c1-8-5-11(15-9(2)23-26-17(15)20-8)16(25)22-21-14(24)7-27-13-6-10(18)3-4-12(13)19/h3-6H,7H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyUGKXAWCHJILYFE-UHFFFAOYSA-N
MW425.30 g/mol
LogP3.70
Rot. Bonds4

About N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide

N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 24609308) has the molecular formula C17H14Cl2N4O3S and a molecular weight of 425.30 g/mol. Its IUPAC name is N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID24609308
Molecular FormulaC17H14Cl2N4O3S
Molecular Weight425.30 g/mol
Exact Mass424.02
IUPAC NameN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)c2c(C)noc2n1
InChIInChI=1S/C17H14Cl2N4O3S/c1-8-5-11(15-9(2)23-26-17(15)20-8)16(25)22-21-14(24)7-27-13-6-10(18)3-4-12(13)19/h3-6H,7H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyUGKXAWCHJILYFE-UHFFFAOYSA-N
XLogP3.70
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26062148
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95761796
2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
CID 24641126
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 24641183
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
CID 9091295
3-[[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]carbamoyl]-N,N,4-trimethylbenzenesulfonamide
CID 22108686
5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
CID 24641131
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 115612894
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide (CID 24609308) is N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)c2c(C)noc2n1.
What is the InChIKey of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is UGKXAWCHJILYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3S/c1-8-5-11(15-9(2)23-26-17(15)20-8)16(25)22-21-14(24)7-27-13-6-10(18)3-4-12(13)19/h3-6H,7H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 425.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 24609308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).