5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide

C14H14N2O3S — CID 106422366

IUPAC5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccno2)sc1C#CCCO
InChIInChI=1S/C14H14N2O3S/c1-10-8-13(20-12(10)4-2-3-7-17)14(18)15-9-11-5-6-16-19-11/h5-6,8,17H,3,7,9H2,1H3,(H,15,18)
InChIKeyXVONTSPXHFUKPH-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.71
Rot. Bonds4

About 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide

5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide (PubChem CID 106422366) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide
PubChem CID106422366
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccno2)sc1C#CCCO
InChIInChI=1S/C14H14N2O3S/c1-10-8-13(20-12(10)4-2-3-7-17)14(18)15-9-11-5-6-16-19-11/h5-6,8,17H,3,7,9H2,1H3,(H,15,18)
InChIKeyXVONTSPXHFUKPH-UHFFFAOYSA-N
XLogP1.71
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-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-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79981172
5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 106422355
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 79989765
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106279776
N-[(5-bromothiophen-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79989768
5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide
CID 79982128
5-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-yl)-4-methylthiophene-2-carboxamide
CID 79990264
N-(2-cyclopentylethyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79977338
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106331042
5-(4-hydroxybut-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 79978528
N-(2,2-difluoroethyl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 113303985
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide
CID 79982122

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide (CID 106422366) is 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCc2ccno2)sc1C#CCCO.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide?
The InChIKey is XVONTSPXHFUKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10-8-13(20-12(10)4-2-3-7-17)14(18)15-9-11-5-6-16-19-11/h5-6,8,17H,3,7,9H2,1H3,(H,15,18).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 106422366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).