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

C13H13ClN2O2 — CID 113381748

IUPACN-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESClc1cc2c(c(CNCc3ccon3)c1)OCC2
InChIInChI=1S/C13H13ClN2O2/c14-11-5-9-1-3-17-13(9)10(6-11)7-15-8-12-2-4-18-16-12/h2,4-6,15H,1,3,7-8H2
InChIKeyCCMHBNCJQKZIGA-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.55
Rot. Bonds4

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

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 113381748) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID113381748
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESClc1cc2c(c(CNCc3ccon3)c1)OCC2
InChIInChI=1S/C13H13ClN2O2/c14-11-5-9-1-3-17-13(9)10(6-11)7-15-8-12-2-4-18-16-12/h2,4-6,15H,1,3,7-8H2
InChIKeyCCMHBNCJQKZIGA-UHFFFAOYSA-N
XLogP2.55
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106833982
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673217
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 113381750
4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide
CID 75519974
2-(5-bromothiophen-2-yl)-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 106047182
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852664
2-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4,4-dimethylpentan-1-amine
CID 107155602
4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962419
4-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-iodoaniline
CID 107635365
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804804
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]methyl]-4-methylpentanoic acid
CID 122073245

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 113381748) is N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is Clc1cc2c(c(CNCc3ccon3)c1)OCC2.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is CCMHBNCJQKZIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-11-5-9-1-3-17-13(9)10(6-11)7-15-8-12-2-4-18-16-12/h2,4-6,15H,1,3,7-8H2.
What are the key properties of N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 264.71 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 113381748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).