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

C19H18BrN3O2 — CID 43059233

IUPACN-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)NC(C)c3cccc(Br)c3)c12
InChIInChI=1S/C19H18BrN3O2/c1-10(13-4-3-5-14(20)8-13)21-18(24)15-9-16(12-6-7-12)22-19-17(15)11(2)23-25-19/h3-5,8-10,12H,6-7H2,1-2H3,(H,21,24)
InChIKeyDASOSKBZUCLTME-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.66
Rot. Bonds4

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

N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43059233) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43059233
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC NameN-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)NC(C)c3cccc(Br)c3)c12
InChIInChI=1S/C19H18BrN3O2/c1-10(13-4-3-5-14(20)8-13)21-18(24)15-9-16(12-6-7-12)22-19-17(15)11(2)23-25-19/h3-5,8-10,12H,6-7H2,1-2H3,(H,21,24)
InChIKeyDASOSKBZUCLTME-UHFFFAOYSA-N
XLogP4.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-3-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315013
6-cyclopropyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853181
N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55576758
6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78878422
6-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95158907
[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 42937419
6-cyclopropyl-3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171314992
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35732339
methyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoate
CID 51302326
6-cyclopropyl-3-methyl-N-[2-(methylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120830455
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902
[(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 51928731

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 43059233) is N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)NC(C)c3cccc(Br)c3)c12.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DASOSKBZUCLTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-10(13-4-3-5-14(20)8-13)21-18(24)15-9-16(12-6-7-12)22-19-17(15)11(2)23-25-19/h3-5,8-10,12H,6-7H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43059233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).