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

C16H12Cl2N4O3 — CID 26062148

IUPACN'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)c2c(C)noc2n1
InChIInChI=1S/C16H12Cl2N4O3/c1-7-5-11(13-8(2)22-25-16(13)19-7)15(24)21-20-14(23)10-6-9(17)3-4-12(10)18/h3-6H,1-2H3,(H,20,23)(H,21,24)
InChIKeyADFJMROSPYGHPW-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.22
Rot. Bonds2

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

N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 26062148) has the molecular formula C16H12Cl2N4O3 and a molecular weight of 379.20 g/mol. Its IUPAC name is N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID26062148
Molecular FormulaC16H12Cl2N4O3
Molecular Weight379.20 g/mol
Exact Mass378.03
IUPAC NameN'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)c2c(C)noc2n1
InChIInChI=1S/C16H12Cl2N4O3/c1-7-5-11(13-8(2)22-25-16(13)19-7)15(24)21-20-14(23)10-6-9(17)3-4-12(10)18/h3-6H,1-2H3,(H,20,23)(H,21,24)
InChIKeyADFJMROSPYGHPW-UHFFFAOYSA-N
XLogP3.22
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 24609308
N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 167941876
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95761796
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068
N-(2,6-difluorophenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52902662
N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 17475946
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 115612894
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133260
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
N-(5-chloro-2-methylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112807982

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide (CID 26062148) is N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)c2c(C)noc2n1.
What is the InChIKey of N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is ADFJMROSPYGHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3/c1-7-5-11(13-8(2)22-25-16(13)19-7)15(24)21-20-14(23)10-6-9(17)3-4-12(10)18/h3-6H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 379.20 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 26062148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).