N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide

C15H17NO3 — CID 60802805

IUPACN-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide
SMILESCc1ccc(C#CCO)cc1NC(=O)C1CCCO1
InChIInChI=1S/C15H17NO3/c1-11-6-7-12(4-2-8-17)10-13(11)16-15(18)14-5-3-9-19-14/h6-7,10,14,17H,3,5,8-9H2,1H3,(H,16,18)
InChIKeyXLMKERILAFXVPI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.46
Rot. Bonds2

About N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide

N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide (PubChem CID 60802805) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide
PubChem CID60802805
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide
SMILESCc1ccc(C#CCO)cc1NC(=O)C1CCCO1
InChIInChI=1S/C15H17NO3/c1-11-6-7-12(4-2-8-17)10-13(11)16-15(18)14-5-3-9-19-14/h6-7,10,14,17H,3,5,8-9H2,1H3,(H,16,18)
InChIKeyXLMKERILAFXVPI-UHFFFAOYSA-N
XLogP1.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide
CID 107577719
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]oxane-3-carboxamide
CID 62760338
N-(2-methyl-5-piperidin-1-ylphenyl)oxolane-2-carboxamide
CID 110362184
N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
CID 82034969
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide
CID 60803928
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160649

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide (CID 60802805) is N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide is Cc1ccc(C#CCO)cc1NC(=O)C1CCCO1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide?
The InChIKey is XLMKERILAFXVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-6-7-12(4-2-8-17)10-13(11)16-15(18)14-5-3-9-19-14/h6-7,10,14,17H,3,5,8-9H2,1H3,(H,16,18).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide?
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 60802805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).