1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C13H14ClN3O2 — CID 106398513

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCC2Cc3cc(Cl)ccc3O2)no1
InChIInChI=1S/C13H14ClN3O2/c1-8-16-13(17-19-8)7-15-6-11-5-9-4-10(14)2-3-12(9)18-11/h2-4,11,15H,5-7H2,1H3
InChIKeyDUYTUEAXWPDISH-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.12
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 106398513) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID106398513
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCC2Cc3cc(Cl)ccc3O2)no1
InChIInChI=1S/C13H14ClN3O2/c1-8-16-13(17-19-8)7-15-6-11-5-9-4-10(14)2-3-12(9)18-11/h2-4,11,15H,5-7H2,1H3
InChIKeyDUYTUEAXWPDISH-UHFFFAOYSA-N
XLogP2.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106398382
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106416267
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 66393777
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106417172
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 113466476
3-[[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]pentan-3-ol
CID 66393011
ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]acetate
CID 66391222
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 66391246
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 66393539
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylaniline
CID 66391403
1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 66361354

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 106398513) is 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1nc(CNCC2Cc3cc(Cl)ccc3O2)no1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is DUYTUEAXWPDISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-16-13(17-19-8)7-15-6-11-5-9-4-10(14)2-3-12(9)18-11/h2-4,11,15H,5-7H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 279.73 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 106398513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).