N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C11H12N2O3 — CID 715566

IUPACN-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccco1
InChIInChI=1S/C11H12N2O3/c1-7-10(8(2)16-13-7)11(14)12-6-9-4-3-5-15-9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyWODXWQAKBGFWTM-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.81
Rot. Bonds3

About N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 715566) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID715566
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccco1
InChIInChI=1S/C11H12N2O3/c1-7-10(8(2)16-13-7)11(14)12-6-9-4-3-5-15-9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyWODXWQAKBGFWTM-UHFFFAOYSA-N
XLogP1.81
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.81
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)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 715566) is N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is WODXWQAKBGFWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-10(8(2)16-13-7)11(14)12-6-9-4-3-5-15-9/h3-5H,6H2,1-2H3,(H,12,14).
What are the key properties of N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 715566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).