(2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C19H22N2O3 — CID 126434473

IUPAC(2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)N(C)Cc3noc4c3CCCC4)ccc2O1
InChIInChI=1S/C19H22N2O3/c1-12-9-14-10-13(7-8-17(14)23-12)19(22)21(2)11-16-15-5-3-4-6-18(15)24-20-16/h7-8,10,12H,3-6,9,11H2,1-2H3/t12-/m1/s1
InChIKeyAAVBUXIMCYOZJH-GFCCVEGCSA-N
MW326.40 g/mol
LogP3.15
Rot. Bonds3

About (2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

(2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 126434473) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name(2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID126434473
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)N(C)Cc3noc4c3CCCC4)ccc2O1
InChIInChI=1S/C19H22N2O3/c1-12-9-14-10-13(7-8-17(14)23-12)19(22)21(2)11-16-15-5-3-4-6-18(15)24-20-16/h7-8,10,12H,3-6,9,11H2,1-2H3/t12-/m1/s1
InChIKeyAAVBUXIMCYOZJH-GFCCVEGCSA-N
XLogP3.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of (2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 126434473) is (2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for (2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for (2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is C[C@@H]1Cc2cc(C(=O)N(C)Cc3noc4c3CCCC4)ccc2O1.
What is the InChIKey of (2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is AAVBUXIMCYOZJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-9-14-10-13(7-8-17(14)23-12)19(22)21(2)11-16-15-5-3-4-6-18(15)24-20-16/h7-8,10,12H,3-6,9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
(2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 126434473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).