N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide

C13H12N2O3S — CID 67963074

IUPACN-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccco1)C1=NOC(c2cccs2)C1
InChIInChI=1S/C13H12N2O3S/c16-13(14-8-9-3-1-5-17-9)10-7-11(18-15-10)12-4-2-6-19-12/h1-6,11H,7-8H2,(H,14,16)
InChIKeyUUARSVMYWDZDTM-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.47
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 67963074) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID67963074
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccco1)C1=NOC(c2cccs2)C1
InChIInChI=1S/C13H12N2O3S/c16-13(14-8-9-3-1-5-17-9)10-7-11(18-15-10)12-4-2-6-19-12/h1-6,11H,7-8H2,(H,14,16)
InChIKeyUUARSVMYWDZDTM-UHFFFAOYSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397522
(7R)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397523
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 42905931
(5S,7R)-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1126652
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55996812
2-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 115285808
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
CID 95903262
N-(furan-2-ylmethyl)-2-thiophen-2-ylsulfinylacetamide
CID 75430243
N-(furan-2-ylmethyl)-2-[(R)-thiophen-2-ylsulfinyl]acetamide
CID 97325274
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 67963074) is N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCc1ccco1)C1=NOC(c2cccs2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is UUARSVMYWDZDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-13(14-8-9-3-1-5-17-9)10-7-11(18-15-10)12-4-2-6-19-12/h1-6,11H,7-8H2,(H,14,16).
What are the key properties of N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67963074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).