N-(4-ethynylphenyl)oxolane-3-carboxamide

C13H13NO2 — CID 165452095

IUPACN-(4-ethynylphenyl)oxolane-3-carboxamide
SMILESC#Cc1ccc(NC(=O)C2CCOC2)cc1
InChIInChI=1S/C13H13NO2/c1-2-10-3-5-12(6-4-10)14-13(15)11-7-8-16-9-11/h1,3-6,11H,7-9H2,(H,14,15)
InChIKeyWWMJLTRTQNMKKA-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.64
Rot. Bonds2

About N-(4-ethynylphenyl)oxolane-3-carboxamide

N-(4-ethynylphenyl)oxolane-3-carboxamide (PubChem CID 165452095) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(4-ethynylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethynylphenyl)oxolane-3-carboxamide
PubChem CID165452095
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-(4-ethynylphenyl)oxolane-3-carboxamide
SMILESC#Cc1ccc(NC(=O)C2CCOC2)cc1
InChIInChI=1S/C13H13NO2/c1-2-10-3-5-12(6-4-10)14-13(15)11-7-8-16-9-11/h1,3-6,11H,7-9H2,(H,14,15)
InChIKeyWWMJLTRTQNMKKA-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide
CID 61277289
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
CID 112736097
(3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide
CID 95156729
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
CID 78004870

Frequently Asked Questions

What is the IUPAC name of N-(4-ethynylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(4-ethynylphenyl)oxolane-3-carboxamide (CID 165452095) is N-(4-ethynylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-ethynylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(4-ethynylphenyl)oxolane-3-carboxamide is C#Cc1ccc(NC(=O)C2CCOC2)cc1.
What is the InChIKey of N-(4-ethynylphenyl)oxolane-3-carboxamide?
The InChIKey is WWMJLTRTQNMKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-10-3-5-12(6-4-10)14-13(15)11-7-8-16-9-11/h1,3-6,11H,7-9H2,(H,14,15).
What are the key properties of N-(4-ethynylphenyl)oxolane-3-carboxamide?
N-(4-ethynylphenyl)oxolane-3-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethynylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 165452095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).