methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate

C22H19N3O5 — CID 18133291

IUPACmethyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1cc(-c2ccco2)nc2onc(C)c12)c1ccccc1
InChIInChI=1S/C22H19N3O5/c1-13-20-15(11-17(18-9-6-10-29-18)24-22(20)30-25-13)21(27)23-16(12-19(26)28-2)14-7-4-3-5-8-14/h3-11,16H,12H2,1-2H3,(H,23,27)
InChIKeyUNEBXDIZZZJAKC-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.83
Rot. Bonds6

About methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate

methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate (PubChem CID 18133291) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate
PubChem CID18133291
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Namemethyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1cc(-c2ccco2)nc2onc(C)c12)c1ccccc1
InChIInChI=1S/C22H19N3O5/c1-13-20-15(11-17(18-9-6-10-29-18)24-22(20)30-25-13)21(27)23-16(12-19(26)28-2)14-7-4-3-5-8-14/h3-11,16H,12H2,1-2H3,(H,23,27)
InChIKeyUNEBXDIZZZJAKC-UHFFFAOYSA-N
XLogP3.83
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

6-(furan-2-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854607
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
methyl 2-[[2-[4-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781629
6-(furan-2-yl)-3-methyl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133213
N-butyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46605297
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682071
N'-(4-chlorobenzoyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 17475946
6-(furan-2-yl)-N-hexyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46515720
N-(2-ethyl-2-hydroxybutyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 111463287
6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18154321
6-(furan-2-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51872509
N-[4-(dimethylamino)phenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17496786

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate (CID 18133291) is methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate is COC(=O)CC(NC(=O)c1cc(-c2ccco2)nc2onc(C)c12)c1ccccc1.
What is the InChIKey of methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is UNEBXDIZZZJAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-13-20-15(11-17(18-9-6-10-29-18)24-22(20)30-25-13)21(27)23-16(12-19(26)28-2)14-7-4-3-5-8-14/h3-11,16H,12H2,1-2H3,(H,23,27).
What are the key properties of methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate?
methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 405.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 18133291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).