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

C23H21N3O5 — CID 30778475

IUPACmethyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)oc1C
InChIInChI=1S/C23H21N3O5/c1-13-20-18(11-19(24-21(20)31-25-13)15-8-6-5-7-9-15)22(27)26(3)12-16-10-17(14(2)30-16)23(28)29-4/h5-11H,12H2,1-4H3
InChIKeyOBGJQOTTWULIJS-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.16
Rot. Bonds5

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

methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate (PubChem CID 30778475) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
PubChem CID30778475
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Namemethyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)oc1C
InChIInChI=1S/C23H21N3O5/c1-13-20-18(11-19(24-21(20)31-25-13)15-8-6-5-7-9-15)22(27)26(3)12-16-10-17(14(2)30-16)23(28)29-4/h5-11H,12H2,1-4H3
InChIKeyOBGJQOTTWULIJS-UHFFFAOYSA-N
XLogP4.16
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 34845376
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
N-(2-anilino-2-oxoethyl)-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55638797
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
2-hydroxyethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 71943087
propyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46542963
N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97185405
methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24684252
N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134061039
methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
CID 55818810

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of 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) is methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate?
The InChIKey is OBGJQOTTWULIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-13-20-18(11-19(24-21(20)31-25-13)15-8-6-5-7-9-15)22(27)26(3)12-16-10-17(14(2)30-16)23(28)29-4/h5-11H,12H2,1-4H3.
What are the key properties of methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate has a molecular weight of 419.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 30778475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).