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

C18H20N4O2 — CID 119438001

IUPAC3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cnc3onc(CC)c3c2)c1
InChIInChI=1S/C18H20N4O2/c1-3-16-15-9-13(11-20-18(15)24-22-16)17(23)21-14-7-5-6-12(8-14)10-19-4-2/h5-9,11,19H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyRQBMQJAJPJIBHS-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.15
Rot. Bonds6

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

3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 119438001) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID119438001
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cnc3onc(CC)c3c2)c1
InChIInChI=1S/C18H20N4O2/c1-3-16-15-9-13(11-20-18(15)24-22-16)17(23)21-14-7-5-6-12(8-14)10-19-4-2/h5-9,11,19H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyRQBMQJAJPJIBHS-UHFFFAOYSA-N
XLogP3.15
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 119350359
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
3-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 134813269
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 87043821
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262
3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 136580689
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 126769214
N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 139482087

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 119438001) is 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCNCc1cccc(NC(=O)c2cnc3onc(CC)c3c2)c1.
What is the InChIKey of 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is RQBMQJAJPJIBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-16-15-9-13(11-20-18(15)24-22-16)17(23)21-14-7-5-6-12(8-14)10-19-4-2/h5-9,11,19H,3-4,10H2,1-2H3,(H,21,23).
What are the key properties of 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 119438001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).