N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

C14H14N2O3S — CID 106376136

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESCc1nc(CNC(=O)c2csc(C#CCO)c2)oc1C
InChIInChI=1S/C14H14N2O3S/c1-9-10(2)19-13(16-9)7-15-14(18)11-6-12(20-8-11)4-3-5-17/h6,8,17H,5,7H2,1-2H3,(H,15,18)
InChIKeyPHQFNLTZMYBEBQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.63
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (PubChem CID 106376136) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
PubChem CID106376136
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESCc1nc(CNC(=O)c2csc(C#CCO)c2)oc1C
InChIInChI=1S/C14H14N2O3S/c1-9-10(2)19-13(16-9)7-15-14(18)11-6-12(20-8-11)4-3-5-17/h6,8,17H,5,7H2,1-2H3,(H,15,18)
InChIKeyPHQFNLTZMYBEBQ-UHFFFAOYSA-N
XLogP1.63
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxamide
CID 79696704
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 114389024
5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide
CID 79696149
5-(3-hydroxyprop-1-ynyl)-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 79692226
4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376208
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
CID 47345026
5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693657
5-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-carboxamide
CID 107414953
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
5-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 79696359
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (CID 106376136) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is Cc1nc(CNC(=O)c2csc(C#CCO)c2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The InChIKey is PHQFNLTZMYBEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-10(2)19-13(16-9)7-15-14(18)11-6-12(20-8-11)4-3-5-17/h6,8,17H,5,7H2,1-2H3,(H,15,18).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is sourced from PubChem (CID 106376136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).