3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide

C15H18N2O3 — CID 71931313

IUPAC3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCc3occc32)on1
InChIInChI=1S/C15H18N2O3/c1-9(2)12-8-14(20-17-12)15(18)16-11-4-3-5-13-10(11)6-7-19-13/h6-9,11H,3-5H2,1-2H3,(H,16,18)
InChIKeyPRLZZOAKOSDDHR-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.20
Rot. Bonds3

About 3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide

3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide (PubChem CID 71931313) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide
PubChem CID71931313
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCc3occc32)on1
InChIInChI=1S/C15H18N2O3/c1-9(2)12-8-14(20-17-12)15(18)16-11-4-3-5-13-10(11)6-7-19-13/h6-9,11H,3-5H2,1-2H3,(H,16,18)
InChIKeyPRLZZOAKOSDDHR-UHFFFAOYSA-N
XLogP3.20
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide (CID 71931313) is 3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NC2CCCc3occc32)on1.
What is the InChIKey of 3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is PRLZZOAKOSDDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)12-8-14(20-17-12)15(18)16-11-4-3-5-13-10(11)6-7-19-13/h6-9,11H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide?
3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71931313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).