N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide

C14H20N2O5 — CID 97106388

IUPACN-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NCC[C@@H](O)c1ccoc1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C14H20N2O5/c17-12(10-4-7-20-9-10)3-5-15-13(18)14(19)16-8-11-2-1-6-21-11/h4,7,9,11-12,17H,1-3,5-6,8H2,(H,15,18)(H,16,19)/t11-,12+/m0/s1
InChIKeyXSESMMLFFSXBMN-NWDGAFQWSA-N
MW296.32 g/mol
LogP0.11
Rot. Bonds6

About N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide

N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide (PubChem CID 97106388) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
PubChem CID97106388
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NCC[C@@H](O)c1ccoc1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C14H20N2O5/c17-12(10-4-7-20-9-10)3-5-15-13(18)14(19)16-8-11-2-1-6-21-11/h4,7,9,11-12,17H,1-3,5-6,8H2,(H,15,18)(H,16,19)/t11-,12+/m0/s1
InChIKeyXSESMMLFFSXBMN-NWDGAFQWSA-N
XLogP0.11
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
CID 121132914
N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 99872934
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 97106356
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 97106355
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 97106297
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide (CID 97106388) is N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide is O=C(NCC[C@@H](O)c1ccoc1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
The InChIKey is XSESMMLFFSXBMN-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H20N2O5/c17-12(10-4-7-20-9-10)3-5-15-13(18)14(19)16-8-11-2-1-6-21-11/h4,7,9,11-12,17H,1-3,5-6,8H2,(H,15,18)(H,16,19)/t11-,12+/m0/s1.
What are the key properties of N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide has a molecular weight of 296.32 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 97106388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).