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

C15H17NO3 — CID 107577719

IUPACN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide
SMILESCc1cc(C#CCO)cc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C15H17NO3/c1-11-8-12(4-2-6-17)10-13(9-11)16-15(18)14-5-3-7-19-14/h8-10,14,17H,3,5-7H2,1H3,(H,16,18)
InChIKeyOOTCBGNJESJAMN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.46
Rot. Bonds2

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

N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide (PubChem CID 107577719) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide
PubChem CID107577719
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide
SMILESCc1cc(C#CCO)cc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C15H17NO3/c1-11-8-12(4-2-6-17)10-13(9-11)16-15(18)14-5-3-7-19-14/h8-10,14,17H,3,5-7H2,1H3,(H,16,18)
InChIKeyOOTCBGNJESJAMN-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'}

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Related Compounds

(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 107578019
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide
CID 60802805
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107577993
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
N-[3-(4-hydroxybut-1-ynyl)-5-methylphenyl]-2-(oxolan-2-yl)acetamide
CID 107578185
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]oxane-4-carboxamide
CID 107578525
N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide
CID 60803928
N-[3-(4-hydroxybut-1-ynyl)-5-methylphenyl]-5-methyloxolane-3-carboxamide
CID 107578294
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide
CID 9319932

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide (CID 107577719) is N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide is Cc1cc(C#CCO)cc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide?
The InChIKey is OOTCBGNJESJAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-8-12(4-2-6-17)10-13(9-11)16-15(18)14-5-3-7-19-14/h8-10,14,17H,3,5-7H2,1H3,(H,16,18).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide?
N-[3-(3-hydroxyprop-1-ynyl)-5-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-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 107577719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).