N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

C12H14N2O3 — CID 5309360

IUPACN-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccco2)no1
InChIInChI=1S/C12H14N2O3/c1-8(2)11-6-10(14-17-11)12(15)13-7-9-4-3-5-16-9/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyMJDAYBZGMRKIIL-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.32
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 5309360) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID5309360
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccco2)no1
InChIInChI=1S/C12H14N2O3/c1-8(2)11-6-10(14-17-11)12(15)13-7-9-4-3-5-16-9/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyMJDAYBZGMRKIIL-UHFFFAOYSA-N
XLogP2.32
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 5309360) is N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NCc2ccco2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is MJDAYBZGMRKIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(2)11-6-10(14-17-11)12(15)13-7-9-4-3-5-16-9/h3-6,8H,7H2,1-2H3,(H,13,15).
What are the key properties of N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).