1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine

C19H19N3O2 — CID 171908814

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCN(Cc1cc(-c2cccnc2)no1)CC1Cc2ccccc2O1
InChIInChI=1S/C19H19N3O2/c1-22(12-16-9-14-5-2-3-7-19(14)23-16)13-17-10-18(21-24-17)15-6-4-8-20-11-15/h2-8,10-11,16H,9,12-13H2,1H3
InChIKeyJVQGMXMJTBLQCM-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.17
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 171908814) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID171908814
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCN(Cc1cc(-c2cccnc2)no1)CC1Cc2ccccc2O1
InChIInChI=1S/C19H19N3O2/c1-22(12-16-9-14-5-2-3-7-19(14)23-16)13-17-10-18(21-24-17)15-6-4-8-20-11-15/h2-8,10-11,16H,9,12-13H2,1H3
InChIKeyJVQGMXMJTBLQCM-UHFFFAOYSA-N
XLogP3.17
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine (CID 171908814) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine is CN(Cc1cc(-c2cccnc2)no1)CC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is JVQGMXMJTBLQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22(12-16-9-14-5-2-3-7-19(14)23-16)13-17-10-18(21-24-17)15-6-4-8-20-11-15/h2-8,10-11,16H,9,12-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 321.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 171908814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).