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

C16H20N2O2 — CID 106372983

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2c(c1)CC(CNCc1nc(C)c(C)o1)O2
InChIInChI=1S/C16H20N2O2/c1-10-4-5-15-13(6-10)7-14(20-15)8-17-9-16-18-11(2)12(3)19-16/h4-6,14,17H,7-9H2,1-3H3
InChIKeyFIUKUYOPRDSIJE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.69
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 106372983) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID106372983
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2c(c1)CC(CNCc1nc(C)c(C)o1)O2
InChIInChI=1S/C16H20N2O2/c1-10-4-5-15-13(6-10)7-14(20-15)8-17-9-16-18-11(2)12(3)19-16/h4-6,14,17H,7-9H2,1-3H3
InChIKeyFIUKUYOPRDSIJE-UHFFFAOYSA-N
XLogP2.69
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 66361354
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 115989785
N-[(2-ethylphenyl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66360586
N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66362511
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66362697
N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66360006
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106416267
N'-ethyl-N'-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66361548
4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 106841886
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
CID 66360372
N',N'-diethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66361145

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 106372983) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine is Cc1ccc2c(c1)CC(CNCc1nc(C)c(C)o1)O2.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is FIUKUYOPRDSIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-4-5-15-13(6-10)7-14(20-15)8-17-9-16-18-11(2)12(3)19-16/h4-6,14,17H,7-9H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 106372983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).