5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide

C14H16N2O3 — CID 96996343

IUPAC5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@H]1CCCc2occc21
InChIInChI=1S/C14H16N2O3/c1-2-11-13(15-8-19-11)14(17)16-10-4-3-5-12-9(10)6-7-18-12/h6-8,10H,2-5H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyMAMLSEKIROXMLN-JTQLQIEISA-N
MW260.29 g/mol
LogP2.64
Rot. Bonds3

About 5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide

5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 96996343) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID96996343
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@H]1CCCc2occc21
InChIInChI=1S/C14H16N2O3/c1-2-11-13(15-8-19-11)14(17)16-10-4-3-5-12-9(10)6-7-18-12/h6-8,10H,2-5H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyMAMLSEKIROXMLN-JTQLQIEISA-N
XLogP2.64
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide (CID 96996343) is 5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)N[C@H]1CCCc2occc21.
What is the InChIKey of 5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is MAMLSEKIROXMLN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-11-13(15-8-19-11)14(17)16-10-4-3-5-12-9(10)6-7-18-12/h6-8,10H,2-5H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide?
5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 96996343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).