5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide

C15H19N3O3 — CID 66157733

IUPAC5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCNC(C)c1ccc(NC(=O)c2cc(COC)on2)cc1
InChIInChI=1S/C15H19N3O3/c1-10(16-2)11-4-6-12(7-5-11)17-15(19)14-8-13(9-20-3)21-18-14/h4-8,10,16H,9H2,1-3H3,(H,17,19)
InChIKeyHIFBKPVTHMRLEM-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.35
Rot. Bonds6

About 5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 66157733) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID66157733
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCNC(C)c1ccc(NC(=O)c2cc(COC)on2)cc1
InChIInChI=1S/C15H19N3O3/c1-10(16-2)11-4-6-12(7-5-11)17-15(19)14-8-13(9-20-3)21-18-14/h4-8,10,16H,9H2,1-3H3,(H,17,19)
InChIKeyHIFBKPVTHMRLEM-UHFFFAOYSA-N
XLogP2.35
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 66157732
N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylethanamine
CID 66157222
N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253347
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184
2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid
CID 66155943
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 63085076
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
CID 66156725

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide (CID 66157733) is 5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide is CNC(C)c1ccc(NC(=O)c2cc(COC)on2)cc1.
What is the InChIKey of 5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HIFBKPVTHMRLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(16-2)11-4-6-12(7-5-11)17-15(19)14-8-13(9-20-3)21-18-14/h4-8,10,16H,9H2,1-3H3,(H,17,19).
What are the key properties of 5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66157733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).