N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H17ClFN3O3 — CID 55501203

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)c12
InChIInChI=1S/C22H17ClFN3O3/c1-12-20-14(10-18(19-6-3-9-29-19)25-21(20)30-26-12)22(28)27(13-7-8-13)11-15-16(23)4-2-5-17(15)24/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyVBYQWEJJESSOOY-UHFFFAOYSA-N
MW425.85 g/mol
LogP5.39
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55501203) has the molecular formula C22H17ClFN3O3 and a molecular weight of 425.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55501203
Molecular FormulaC22H17ClFN3O3
Molecular Weight425.85 g/mol
Exact Mass425.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)c12
InChIInChI=1S/C22H17ClFN3O3/c1-12-20-14(10-18(19-6-3-9-29-19)25-21(20)30-26-12)22(28)27(13-7-8-13)11-15-16(23)4-2-5-17(15)24/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyVBYQWEJJESSOOY-UHFFFAOYSA-N
XLogP5.39
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.85
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30041475
N-(cyclopropylmethyl)-6-(furan-2-yl)-3-methyl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51322778
6-(furan-2-yl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18150886
N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43057976
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682210
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-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 55987669
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553427
N-ethyl-6-(furan-2-yl)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47029268
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682037

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55501203) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)c12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VBYQWEJJESSOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O3/c1-12-20-14(10-18(19-6-3-9-29-19)25-21(20)30-26-12)22(28)27(13-7-8-13)11-15-16(23)4-2-5-17(15)24/h2-6,9-10,13H,7-8,11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 425.85 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55501203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).