N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide

C19H13ClN4O4 — CID 17475946

IUPACN'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)NNC(=O)c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H13ClN4O4/c1-10-16-13(9-14(15-3-2-8-27-15)21-19(16)28-24-10)18(26)23-22-17(25)11-4-6-12(20)7-5-11/h2-9H,1H3,(H,22,25)(H,23,26)
InChIKeyMQKJUUZHVLIRDI-UHFFFAOYSA-N
MW396.79 g/mol
LogP3.52
Rot. Bonds3

About N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide

N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 17475946) has the molecular formula C19H13ClN4O4 and a molecular weight of 396.79 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID17475946
Molecular FormulaC19H13ClN4O4
Molecular Weight396.79 g/mol
Exact Mass396.06
IUPAC NameN'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)NNC(=O)c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H13ClN4O4/c1-10-16-13(9-14(15-3-2-8-27-15)21-19(16)28-24-10)18(26)23-22-17(25)11-4-6-12(20)7-5-11/h2-9H,1H3,(H,22,25)(H,23,26)
InChIKeyMQKJUUZHVLIRDI-UHFFFAOYSA-N
XLogP3.52
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.79
LogP ≤ 53.52
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-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43057976
6-(furan-2-yl)-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55533054
6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133213
N-butyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46605297
N-[4-(dimethylamino)phenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17496786
6-(furan-2-yl)-N-hexyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46515720
N-(2-ethyl-2-hydroxybutyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 111463287
6-(furan-2-yl)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30187132
6-(furan-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17425774
6-(furan-2-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854607
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56533165

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide (CID 17475946) is N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide is Cc1noc2nc(-c3ccco3)cc(C(=O)NNC(=O)c3ccc(Cl)cc3)c12.
What is the InChIKey of N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is MQKJUUZHVLIRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O4/c1-10-16-13(9-14(15-3-2-8-27-15)21-19(16)28-24-10)18(26)23-22-17(25)11-4-6-12(20)7-5-11/h2-9H,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide?
N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 396.79 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 17475946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).