(2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate

C18H16N4O5 — CID 66644602

IUPAC(2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate
SMILESCc1onc(-c2ccccn2)c1COc1ccc(C(=O)OCC(N)=O)nc1
InChIInChI=1S/C18H16N4O5/c1-11-13(17(22-27-11)14-4-2-3-7-20-14)9-25-12-5-6-15(21-8-12)18(24)26-10-16(19)23/h2-8H,9-10H2,1H3,(H2,19,23)
InChIKeyUHKVDEPHXDOMKS-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.66
Rot. Bonds7

About (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate

(2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate (PubChem CID 66644602) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate
PubChem CID66644602
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name(2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate
SMILESCc1onc(-c2ccccn2)c1COc1ccc(C(=O)OCC(N)=O)nc1
InChIInChI=1S/C18H16N4O5/c1-11-13(17(22-27-11)14-4-2-3-7-20-14)9-25-12-5-6-15(21-8-12)18(24)26-10-16(19)23/h2-8H,9-10H2,1H3,(H2,19,23)
InChIKeyUHKVDEPHXDOMKS-UHFFFAOYSA-N
XLogP1.66
TPSA130.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
CID 66644374
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 42630170
1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid
CID 66643856
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 42630130
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
(2-amino-2-oxoethyl) 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771114
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 110494797
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55399712
methyl 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylate
CID 59568508
3-cyanopropyl 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 155552111

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate (CID 66644602) is (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate is Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)OCC(N)=O)nc1.
What is the InChIKey of (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate?
The InChIKey is UHKVDEPHXDOMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11-13(17(22-27-11)14-4-2-3-7-20-14)9-25-12-5-6-15(21-8-12)18(24)26-10-16(19)23/h2-8H,9-10H2,1H3,(H2,19,23).
What are the key properties of (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate?
(2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate has a molecular weight of 368.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 66644602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).