1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

C15H17ClN2O2 — CID 102673217

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2cc(Cl)cc3c2OCC3)oc1C
InChIInChI=1S/C15H17ClN2O2/c1-9-10(2)20-14(18-9)8-17-7-12-6-13(16)5-11-3-4-19-15(11)12/h5-6,17H,3-4,7-8H2,1-2H3
InChIKeyYSKUUCFWOFCMSM-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.17
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 102673217) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID102673217
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2cc(Cl)cc3c2OCC3)oc1C
InChIInChI=1S/C15H17ClN2O2/c1-9-10(2)20-14(18-9)8-17-7-12-6-13(16)5-11-3-4-19-15(11)12/h5-6,17H,3-4,7-8H2,1-2H3
InChIKeyYSKUUCFWOFCMSM-UHFFFAOYSA-N
XLogP3.17
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 113381750
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 113381748
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106833982
4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide
CID 75519974
4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962419
3-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methoxybutan-1-amine
CID 106242783
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852664
3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-methylbutan-1-ol
CID 113381738
2-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122073245
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 104757989
2-(5-bromothiophen-2-yl)-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 106047182
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 102673217) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1nc(CNCc2cc(Cl)cc3c2OCC3)oc1C.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is YSKUUCFWOFCMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-10(2)20-14(18-9)8-17-7-12-6-13(16)5-11-3-4-19-15(11)12/h5-6,17H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 292.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 102673217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).