N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide

C13H19NO4 — CID 111481528

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)C2CCOC2)o1
InChIInChI=1S/C13H19NO4/c1-9-3-4-11(18-9)13(2,16)8-14-12(15)10-5-6-17-7-10/h3-4,10,16H,5-8H2,1-2H3,(H,14,15)
InChIKeyGXSSREURIGSSDC-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.95
Rot. Bonds4

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide (PubChem CID 111481528) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
PubChem CID111481528
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)C2CCOC2)o1
InChIInChI=1S/C13H19NO4/c1-9-3-4-11(18-9)13(2,16)8-14-12(15)10-5-6-17-7-10/h3-4,10,16H,5-8H2,1-2H3,(H,14,15)
InChIKeyGXSSREURIGSSDC-UHFFFAOYSA-N
XLogP0.95
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide
CID 124621109
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479690
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide
CID 111481019
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111481264
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
CID 71985002
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea
CID 96518695
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methylcyclopentyl)urea
CID 71869890
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 111912176

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide (CID 111481528) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide is Cc1ccc(C(C)(O)CNC(=O)C2CCOC2)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide?
The InChIKey is GXSSREURIGSSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-3-4-11(18-9)13(2,16)8-14-12(15)10-5-6-17-7-10/h3-4,10,16H,5-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 111481528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).