N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide

C13H16N2O3 — CID 1247300

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C13H16N2O3/c1-8-9(5-6-17-8)12(16)14-11-7-10(18-15-11)13(2,3)4/h5-7H,1-4H3,(H,14,15,16)
InChIKeySEBFKRQYDKHURI-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.13
Rot. Bonds2

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide (PubChem CID 1247300) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide
PubChem CID1247300
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C13H16N2O3/c1-8-9(5-6-17-8)12(16)14-11-7-10(18-15-11)13(2,3)4/h5-7H,1-4H3,(H,14,15,16)
InChIKeySEBFKRQYDKHURI-UHFFFAOYSA-N
XLogP3.13
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide (CID 1247300) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide?
The InChIKey is SEBFKRQYDKHURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-9(5-6-17-8)12(16)14-11-7-10(18-15-11)13(2,3)4/h5-7H,1-4H3,(H,14,15,16).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1247300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).