2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide

C16H17NO3 — CID 133266448

IUPAC2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)ccc2o1
InChIInChI=1S/C16H17NO3/c1-9-6-11-7-10(2-3-14(11)20-9)16(18)17-13-8-15-12(13)4-5-19-15/h2-3,6-7,12-13,15H,4-5,8H2,1H3,(H,17,18)/t12-,13+,15+/m0/s1
InChIKeyFSWCCCPAVIQRHX-GZBFAFLISA-N
MW271.32 g/mol
LogP2.65
Rot. Bonds2

About 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide

2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide (PubChem CID 133266448) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide
PubChem CID133266448
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)ccc2o1
InChIInChI=1S/C16H17NO3/c1-9-6-11-7-10(2-3-14(11)20-9)16(18)17-13-8-15-12(13)4-5-19-15/h2-3,6-7,12-13,15H,4-5,8H2,1H3,(H,17,18)/t12-,13+,15+/m0/s1
InChIKeyFSWCCCPAVIQRHX-GZBFAFLISA-N
XLogP2.65
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 91782943
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide
CID 91769351
2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 133268115
4-[6-[[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]naphthalen-1-yl]benzoic acid
CID 175642494
6-methoxy-3-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-2-carboxamide
CID 133266869
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
CID 91763879
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 91778744
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 133268403
3-(3-hydroxy-3-methylbutyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91763791
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide
CID 133267398
N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(pyrrol-1-ylmethyl)benzamide
CID 91780019
5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
CID 91775055

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide?
The IUPAC name of 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide (CID 133266448) is 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)ccc2o1.
What is the InChIKey of 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide?
The InChIKey is FSWCCCPAVIQRHX-GZBFAFLISA-N. The full InChI is InChI=1S/C16H17NO3/c1-9-6-11-7-10(2-3-14(11)20-9)16(18)17-13-8-15-12(13)4-5-19-15/h2-3,6-7,12-13,15H,4-5,8H2,1H3,(H,17,18)/t12-,13+,15+/m0/s1.
What are the key properties of 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide?
2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 133266448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).