N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H18BrN3O2 — CID 35060523

IUPACN-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)c1cccc(Br)c1
InChIInChI=1S/C22H18BrN3O2/c1-3-26(17-11-7-10-16(23)12-17)22(27)18-13-19(15-8-5-4-6-9-15)24-21-20(18)14(2)25-28-21/h4-13H,3H2,1-2H3
InChIKeyRAEIWROHXSKASL-UHFFFAOYSA-N
MW436.31 g/mol
LogP5.63
Rot. Bonds4

About N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 35060523) has the molecular formula C22H18BrN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID35060523
Molecular FormulaC22H18BrN3O2
Molecular Weight436.31 g/mol
Exact Mass435.06
IUPAC NameN-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)c1cccc(Br)c1
InChIInChI=1S/C22H18BrN3O2/c1-3-26(17-11-7-10-16(23)12-17)22(27)18-13-19(15-8-5-4-6-9-15)24-21-20(18)14(2)25-28-21/h4-13H,3H2,1-2H3
InChIKeyRAEIWROHXSKASL-UHFFFAOYSA-N
XLogP5.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.31
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134061039
[2-(diethylamino)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681591
propyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46542963
2-hydroxyethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 71943087
N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97185405
N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24596980
N-ethyl-3-methyl-6-(4-methylphenyl)-N-(2-methylprop-2-enyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52559714
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 34845376
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55539659
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46694891
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 35060523) is N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RAEIWROHXSKASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O2/c1-3-26(17-11-7-10-16(23)12-17)22(27)18-13-19(15-8-5-4-6-9-15)24-21-20(18)14(2)25-28-21/h4-13H,3H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 436.31 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35060523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).