N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide

C17H21N3O4 — CID 167980291

IUPACN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide
SMILESO=C(NCC1CC(c2ccc3c(c2)CCO3)=NO1)N1CCCCO1
InChIInChI=1S/C17H21N3O4/c21-17(20-6-1-2-7-23-20)18-11-14-10-15(19-24-14)12-3-4-16-13(9-12)5-8-22-16/h3-4,9,14H,1-2,5-8,10-11H2,(H,18,21)
InChIKeyLYNFUUXKVCTCKT-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.85
Rot. Bonds3

About N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide

N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide (PubChem CID 167980291) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide
PubChem CID167980291
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide
SMILESO=C(NCC1CC(c2ccc3c(c2)CCO3)=NO1)N1CCCCO1
InChIInChI=1S/C17H21N3O4/c21-17(20-6-1-2-7-23-20)18-11-14-10-15(19-24-14)12-3-4-16-13(9-12)5-8-22-16/h3-4,9,14H,1-2,5-8,10-11H2,(H,18,21)
InChIKeyLYNFUUXKVCTCKT-UHFFFAOYSA-N
XLogP1.85
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide?
The IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide (CID 167980291) is N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide.
What is the SMILES notation for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide?
The canonical SMILES for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide is O=C(NCC1CC(c2ccc3c(c2)CCO3)=NO1)N1CCCCO1.
What is the InChIKey of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide?
The InChIKey is LYNFUUXKVCTCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-17(20-6-1-2-7-23-20)18-11-14-10-15(19-24-14)12-3-4-16-13(9-12)5-8-22-16/h3-4,9,14H,1-2,5-8,10-11H2,(H,18,21).
What are the key properties of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide?
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxazinane-2-carboxamide is sourced from PubChem (CID 167980291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).