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

C22H21N3O5 — CID 31336264

IUPAC6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1
InChIInChI=1S/C22H21N3O5/c1-14-20-17(13-18(19-5-4-11-29-19)23-21(20)30-24-14)22(26)25(2)10-12-28-16-8-6-15(27-3)7-9-16/h4-9,11,13H,10,12H2,1-3H3
InChIKeyFBZVMIONILBMMN-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.95
Rot. Bonds7

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

6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 31336264) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID31336264
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1
InChIInChI=1S/C22H21N3O5/c1-14-20-17(13-18(19-5-4-11-29-19)23-21(20)30-24-14)22(26)25(2)10-12-28-16-8-6-15(27-3)7-9-16/h4-9,11,13H,10,12H2,1-3H3
InChIKeyFBZVMIONILBMMN-UHFFFAOYSA-N
XLogP3.95
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(furan-2-yl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18150886
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-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75405518
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78833357
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55819078
N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43057976
N-(cyclopropylmethyl)-6-(furan-2-yl)-3-methyl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51322778
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-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051395
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681757
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26024614

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 31336264) is 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(OCCN(C)C(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1.
What is the InChIKey of 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FBZVMIONILBMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-14-20-17(13-18(19-5-4-11-29-19)23-21(20)30-24-14)22(26)25(2)10-12-28-16-8-6-15(27-3)7-9-16/h4-9,11,13H,10,12H2,1-3H3.
What are the key properties of 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 31336264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).