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

C16H16N2O3 — CID 73051566

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc3ccccc3o2)no1
InChIInChI=1S/C16H16N2O3/c1-16(2,3)13-9-14(18-21-13)17-15(19)12-8-10-6-4-5-7-11(10)20-12/h4-9H,1-3H3,(H,17,18,19)
InChIKeyVRWGKYTUTFYGFG-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.97
Rot. Bonds2

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 73051566) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID73051566
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc3ccccc3o2)no1
InChIInChI=1S/C16H16N2O3/c1-16(2,3)13-9-14(18-21-13)17-15(19)12-8-10-6-4-5-7-11(10)20-12/h4-9H,1-3H3,(H,17,18,19)
InChIKeyVRWGKYTUTFYGFG-UHFFFAOYSA-N
XLogP3.97
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 6459983
N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 27148287
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22775944
2-(1-benzofuran-2-carbonylamino)-2-methylpropanoic acid
CID 61262055
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 167799653
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
CID 122356252

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide (CID 73051566) is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide is CC(C)(C)c1cc(NC(=O)c2cc3ccccc3o2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is VRWGKYTUTFYGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-16(2,3)13-9-14(18-21-13)17-15(19)12-8-10-6-4-5-7-11(10)20-12/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 3.97, 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)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 73051566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).