5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide

C12H10N2O3S — CID 81178058

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccon1)c1ccc(C#CCO)s1
InChIInChI=1S/C12H10N2O3S/c15-6-1-2-10-3-4-11(18-10)12(16)13-8-9-5-7-17-14-9/h3-5,7,15H,6,8H2,(H,13,16)
InChIKeyFPKKNLVVLGVHEV-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.01
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 81178058) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide
PubChem CID81178058
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccon1)c1ccc(C#CCO)s1
InChIInChI=1S/C12H10N2O3S/c15-6-1-2-10-3-4-11(18-10)12(16)13-8-9-5-7-17-14-9/h3-5,7,15H,6,8H2,(H,13,16)
InChIKeyFPKKNLVVLGVHEV-UHFFFAOYSA-N
XLogP1.01
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.01
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-(3-hydroxyprop-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 62842091
N-(2,2-dimethylpropyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61167472
5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide
CID 74242161
5-(3-hydroxyprop-1-ynyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 61075106
5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 62842092
N-[3-(diethylamino)propyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075095
5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide
CID 106342057
5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 63244465
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
N-(1,3-benzothiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075092
5-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)thiophene-2-carboxamide
CID 114913751
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 81170386

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide (CID 81178058) is 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ccon1)c1ccc(C#CCO)s1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is FPKKNLVVLGVHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-6-1-2-10-3-4-11(18-10)12(16)13-8-9-5-7-17-14-9/h3-5,7,15H,6,8H2,(H,13,16).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 81178058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).