N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide

C14H10N2O5 — CID 45496871

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide
SMILESO=C(NCc1cc(-c2ccco2)on1)c1ccc(=O)oc1
InChIInChI=1S/C14H10N2O5/c17-13-4-3-9(8-20-13)14(18)15-7-10-6-12(21-16-10)11-2-1-5-19-11/h1-6,8H,7H2,(H,15,18)
InChIKeyQLTMOBJZMNTBLT-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.82
Rot. Bonds4

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide (PubChem CID 45496871) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide
PubChem CID45496871
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide
SMILESO=C(NCc1cc(-c2ccco2)on1)c1ccc(=O)oc1
InChIInChI=1S/C14H10N2O5/c17-13-4-3-9(8-20-13)14(18)15-7-10-6-12(21-16-10)11-2-1-5-19-11/h1-6,8H,7H2,(H,15,18)
InChIKeyQLTMOBJZMNTBLT-UHFFFAOYSA-N
XLogP1.82
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide
CID 30607978
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 50971172
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363848
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
5-ethyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 74235471
2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497837
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70753289
1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one
CID 68721708
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
(Z)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]prop-2-enamide
CID 30608025

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide (CID 45496871) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide is O=C(NCc1cc(-c2ccco2)on1)c1ccc(=O)oc1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide?
The InChIKey is QLTMOBJZMNTBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-13-4-3-9(8-20-13)14(18)15-7-10-6-12(21-16-10)11-2-1-5-19-11/h1-6,8H,7H2,(H,15,18).
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide has a molecular weight of 286.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 45496871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).