N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H18ClN3O3 — CID 43057976

IUPACN-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N(C)C(C)c3ccc(Cl)cc3)c12
InChIInChI=1S/C21H18ClN3O3/c1-12-19-16(11-17(18-5-4-10-27-18)23-20(19)28-24-12)21(26)25(3)13(2)14-6-8-15(22)9-7-14/h4-11,13H,1-3H3
InChIKeyINARBVCHTATTQY-UHFFFAOYSA-N
MW395.85 g/mol
LogP5.28
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43057976) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43057976
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N(C)C(C)c3ccc(Cl)cc3)c12
InChIInChI=1S/C21H18ClN3O3/c1-12-19-16(11-17(18-5-4-10-27-18)23-20(19)28-24-12)21(26)25(3)13(2)14-6-8-15(22)9-7-14/h4-11,13H,1-3H3
InChIKeyINARBVCHTATTQY-UHFFFAOYSA-N
XLogP5.28
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.85
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-(furan-2-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51872509
6-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46696500
N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 17475946
6-(furan-2-yl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18150886
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854585
6-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75405518
6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 31336264
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
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-(3,4-difluorophenyl)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836838
N-ethyl-6-(furan-2-yl)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47029268
N-[4-(dimethylamino)phenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17496786

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 43057976) is N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)C(C)c3ccc(Cl)cc3)c12.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is INARBVCHTATTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-12-19-16(11-17(18-5-4-10-27-18)23-20(19)28-24-12)21(26)25(3)13(2)14-6-8-15(22)9-7-14/h4-11,13H,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43057976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).