6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H22FN3O2 — CID 46976534

IUPAC6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)C(CC)c2ccc(F)cc2)c2c(C)noc2n1
InChIInChI=1S/C20H22FN3O2/c1-5-15-11-16(18-12(3)23-26-19(18)22-15)20(25)24(4)17(6-2)13-7-9-14(21)10-8-13/h7-11,17H,5-6H2,1-4H3
InChIKeyRMXSUVQLKCXFPS-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.46
Rot. Bonds5

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

6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46976534) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46976534
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)C(CC)c2ccc(F)cc2)c2c(C)noc2n1
InChIInChI=1S/C20H22FN3O2/c1-5-15-11-16(18-12(3)23-26-19(18)22-15)20(25)24(4)17(6-2)13-7-9-14(21)10-8-13/h7-11,17H,5-6H2,1-4H3
InChIKeyRMXSUVQLKCXFPS-UHFFFAOYSA-N
XLogP4.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46696500
6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46979234
3-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524366
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-(1-aminopropan-2-yl)-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119582443
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55522795
2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide
CID 92626939
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43051206
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
CID 62627993
N-ethyl-6-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134036791
N-[[4-(dimethylamino)phenyl]methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 35830253
(2-oxo-2-propan-2-yloxyethyl) 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35733259

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46976534) is 6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCc1cc(C(=O)N(C)C(CC)c2ccc(F)cc2)c2c(C)noc2n1.
What is the InChIKey of 6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RMXSUVQLKCXFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-5-15-11-16(18-12(3)23-26-19(18)22-15)20(25)24(4)17(6-2)13-7-9-14(21)10-8-13/h7-11,17H,5-6H2,1-4H3.
What are the key properties of 6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46976534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).