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

C20H19N5O3 — CID 46979234

IUPAC6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c2c(C)noc2n1
InChIInChI=1S/C20H19N5O3/c1-4-14-10-15(17-12(2)24-28-19(17)21-14)20(26)25(3)11-16-22-23-18(27-16)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3
InChIKeyBPPHJUKIOOMGOZ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.42
Rot. Bonds5

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

6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46979234) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46979234
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c2c(C)noc2n1
InChIInChI=1S/C20H19N5O3/c1-4-14-10-15(17-12(2)24-28-19(17)21-14)20(26)25(3)11-16-22-23-18(27-16)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3
InChIKeyBPPHJUKIOOMGOZ-UHFFFAOYSA-N
XLogP3.42
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 46978542
6-ethyl-N-[1-(4-fluorophenyl)propyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46976534
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
CID 30778475
1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
CID 156587003
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55484970
N,5,7-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77085010
N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide
CID 156584441
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 34845376
3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 162634482
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18158215

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is 6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCc1cc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c2c(C)noc2n1.
What is the InChIKey of 6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BPPHJUKIOOMGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-4-14-10-15(17-12(2)24-28-19(17)21-14)20(26)25(3)11-16-22-23-18(27-16)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3.
What are the key properties of 6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46979234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).