N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C13H20N2O5 — CID 162921091

IUPACN-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2cc(C)on2)CC(O)C(O)C1
InChIInChI=1S/C13H20N2O5/c1-8-3-9(15-20-8)12(18)14-6-13(7-19-2)4-10(16)11(17)5-13/h3,10-11,16-17H,4-7H2,1-2H3,(H,14,18)
InChIKeyQXDPYOWFBIHBCB-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.14
Rot. Bonds5

About N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 162921091) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID162921091
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC NameN-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2cc(C)on2)CC(O)C(O)C1
InChIInChI=1S/C13H20N2O5/c1-8-3-9(15-20-8)12(18)14-6-13(7-19-2)4-10(16)11(17)5-13/h3,10-11,16-17H,4-7H2,1-2H3,(H,14,18)
InChIKeyQXDPYOWFBIHBCB-UHFFFAOYSA-N
XLogP-0.14
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 146119556
N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368084
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 163004834
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981
5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60593102
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 113294761
5-(furan-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 120891466
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
methyl 2-bromo-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 103492671
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91817464
N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 162631251

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 162921091) is N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is COCC1(CNC(=O)c2cc(C)on2)CC(O)C(O)C1.
What is the InChIKey of N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QXDPYOWFBIHBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-8-3-9(15-20-8)12(18)14-6-13(7-19-2)4-10(16)11(17)5-13/h3,10-11,16-17H,4-7H2,1-2H3,(H,14,18).
What are the key properties of N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162921091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).