5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide

C14H18N2O4 — CID 46097019

IUPAC5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide
SMILESCCCOCCNC(=O)c1c(C)noc1-c1ccco1
InChIInChI=1S/C14H18N2O4/c1-3-7-18-9-6-15-14(17)12-10(2)16-20-13(12)11-5-4-8-19-11/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyWLYWTMPCRZUNQL-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.40
Rot. Bonds7

About 5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide

5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide (PubChem CID 46097019) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide
PubChem CID46097019
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide
SMILESCCCOCCNC(=O)c1c(C)noc1-c1ccco1
InChIInChI=1S/C14H18N2O4/c1-3-7-18-9-6-15-14(17)12-10(2)16-20-13(12)11-5-4-8-19-11/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyWLYWTMPCRZUNQL-UHFFFAOYSA-N
XLogP2.40
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide (CID 46097019) is 5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide is CCCOCCNC(=O)c1c(C)noc1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is WLYWTMPCRZUNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-7-18-9-6-15-14(17)12-10(2)16-20-13(12)11-5-4-8-19-11/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide?
5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).