N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole

C15H20N2O2 — CID 142525736

IUPACN-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole
SMILESCNC.c1cc2c(c(-c3cnco3)c1)CCCOC2
InChIInChI=1S/C13H13NO2.C2H7N/c1-3-10-8-15-6-2-5-11(10)12(4-1)13-7-14-9-16-13;1-3-2/h1,3-4,7,9H,2,5-6,8H2;3H,1-2H3
InChIKeyRSUJQROBFSJOQX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.64
Rot. Bonds1

About N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole

N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole (PubChem CID 142525736) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole.

Molecular Properties

Compound NameN-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole
PubChem CID142525736
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole
SMILESCNC.c1cc2c(c(-c3cnco3)c1)CCCOC2
InChIInChI=1S/C13H13NO2.C2H7N/c1-3-10-8-15-6-2-5-11(10)12(4-1)13-7-14-9-16-13;1-3-2/h1,3-4,7,9H,2,5-6,8H2;3H,1-2H3
InChIKeyRSUJQROBFSJOQX-UHFFFAOYSA-N
XLogP2.64
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(1S)-6-(1,3-oxazol-5-yl)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]methanamine
CID 137460592
4-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)pyridine
CID 137477388
5-(5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-12-yl)-1,3-oxazole
CID 10065735
5-(3,4-dihydro-1H-isochromen-5-yl)-1,2-oxazole;methanamine
CID 142525744
4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine
CID 142525785
2-(1,3-oxazol-5-yl)phenol
CID 22723465
4-(3,4-dihydro-1H-isochromen-5-yl)-1H-pyrazole
CID 137477380
8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279468
5-[2-(furan-2-yl)phenyl]-1,3-oxazole
CID 168525054
3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
CID 142525776
N-[7-(1,3-oxazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,1-diphenylmethanimine
CID 118862287
5-(3,4-dihydronaphthalen-2-yl)-1,3-oxazole
CID 119083765

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole?
The IUPAC name of N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole (CID 142525736) is N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole.
What is the SMILES notation for N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole?
The canonical SMILES for N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole is CNC.c1cc2c(c(-c3cnco3)c1)CCCOC2.
What is the InChIKey of N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole?
The InChIKey is RSUJQROBFSJOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.C2H7N/c1-3-10-8-15-6-2-5-11(10)12(4-1)13-7-14-9-16-13;1-3-2/h1,3-4,7,9H,2,5-6,8H2;3H,1-2H3.
What are the key properties of N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole?
N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole has a molecular weight of 260.34 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;5-(1,3,4,5-tetrahydro-2-benzoxepin-6-yl)-1,3-oxazole is sourced from PubChem (CID 142525736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).