N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

C17H18N4O4 — CID 24819173

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(CNC(=O)c2cc(COc3ccc(C)nc3)on2)on1
InChIInChI=1S/C17H18N4O4/c1-3-12-6-14(24-20-12)9-19-17(22)16-7-15(25-21-16)10-23-13-5-4-11(2)18-8-13/h4-8H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyMMPCFHRHXHORQB-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.44
Rot. Bonds7

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24819173) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID24819173
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(CNC(=O)c2cc(COc3ccc(C)nc3)on2)on1
InChIInChI=1S/C17H18N4O4/c1-3-12-6-14(24-20-12)9-19-17(22)16-7-15(25-21-16)10-23-13-5-4-11(2)18-8-13/h4-8H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyMMPCFHRHXHORQB-UHFFFAOYSA-N
XLogP2.44
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2,4-difluorophenoxy)methyl]-N-[1-methyl-2-(3-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24790118
N-methyl-5-[(6-methyl-3-pyridyl)oxymethyl]-N-[[1-(o-tolyl)pyrazol-4-yl]methyl]isoxazole-3-carboxamide
CID 24790337
(2,2-Diallylpyrrolidino)-[5-[(6-methyl-3-pyridyl)oxymethyl]isoxazol-3-yl]methanone
CID 24790899
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 24791062
3-Chloro-5-({3-[(3-propoxy-1-piperidinyl)carbonyl]-5-isoxazolyl}methoxy)pyridine
CID 24791113
methyl (2S)-2-[[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]amino]-2-phenylacetate
CID 24791158
5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24791354
N-[(5-fluoro-2-methylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 24791480
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24791808
N-isopropyl-2-[4-[5-[(6-methyl-3-pyridyl)oxymethyl]isoxazole-3-carbonyl]piperazino]acetamide
CID 24792939
5-[(3-{[4-(3-Methoxypropyl)-1-piperidinyl]carbonyl}-5-isoxazolyl)methoxy]-2-methylpyridine
CID 24793180
3-({[1-({5-[(2-Methoxyphenoxy)methyl]-3-isoxazolyl}carbonyl)-3-piperidinyl]oxy}methyl)pyridine
CID 24793324

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 24819173) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is CCc1cc(CNC(=O)c2cc(COc3ccc(C)nc3)on2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MMPCFHRHXHORQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-3-12-6-14(24-20-12)9-19-17(22)16-7-15(25-21-16)10-23-13-5-4-11(2)18-8-13/h4-8H,3,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24819173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).