methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate

C16H20N2O5 — CID 810860

IUPACmethyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(CCC(C)C)C(=O)c2ccco2)n1
InChIInChI=1S/C16H20N2O5/c1-11(2)6-7-18(15(19)13-5-4-8-22-13)9-14-17-12(10-23-14)16(20)21-3/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyCNINMNNSFBFYSN-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.74
Rot. Bonds7

About methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 810860) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID810860
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namemethyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(CCC(C)C)C(=O)c2ccco2)n1
InChIInChI=1S/C16H20N2O5/c1-11(2)6-7-18(15(19)13-5-4-8-22-13)9-14-17-12(10-23-14)16(20)21-3/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyCNINMNNSFBFYSN-UHFFFAOYSA-N
XLogP2.74
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(5aS,8aS)-4-(furan-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(1,3-oxazol-4-yl)methanone
CID 97420393
{2-[1-(2-Furylcarbonyl)-4-piperidyl]-5-methyl-1,3-oxazol-4-YL}(1-pyrrolidinyl)methanone
CID 53168378
{2-[1-(2-Furylcarbonyl)-4-piperidyl]-5-methyl-1,3-oxazol-4-yl}(piperidino)methanone
CID 53168401
{2-[1-(2-Furylcarbonyl)-4-piperidyl]-5-methyl-1,3-oxazol-4-yl}(morpholino)methanone
CID 53168419
2-[1-(Furan-2-carbonyl)piperidin-4-YL]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837842
Ethyl 2-(2-Furyl)-5-methyloxazole-4-carboxylate
CID 86067764
2-[[(3-Fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712759
N-(2-furylmethyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464267
N-ethyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]butan-1-amine
CID 56661579
N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56662251
Ethyl 1-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 56668866
2-[[(2,4-Difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712590

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 810860) is methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CN(CCC(C)C)C(=O)c2ccco2)n1.
What is the InChIKey of methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is CNINMNNSFBFYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-11(2)6-7-18(15(19)13-5-4-8-22-13)9-14-17-12(10-23-14)16(20)21-3/h4-5,8,10-11H,6-7,9H2,1-3H3.
What are the key properties of methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 810860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).