1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine

C18H26N4O — CID 135105595

IUPAC1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccn[nH]1)CC1CN(Cc2ccccc2)CCCO1
InChIInChI=1S/C18H26N4O/c1-21(13-17-8-9-19-20-17)14-18-15-22(10-5-11-23-18)12-16-6-3-2-4-7-16/h2-4,6-9,18H,5,10-15H2,1H3,(H,19,20)
InChIKeyQYYPEEUQVHTGBG-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.13
Rot. Bonds6

About 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine

1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 135105595) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID135105595
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccn[nH]1)CC1CN(Cc2ccccc2)CCCO1
InChIInChI=1S/C18H26N4O/c1-21(13-17-8-9-19-20-17)14-18-15-22(10-5-11-23-18)12-16-6-3-2-4-7-16/h2-4,6-9,18H,5,10-15H2,1H3,(H,19,20)
InChIKeyQYYPEEUQVHTGBG-UHFFFAOYSA-N
XLogP2.13
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
4-benzyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 135111107
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
2-amino-3-(4-benzyl-1,4-oxazepan-2-yl)propanoic acid
CID 106491179
1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 47072465
2-N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 137343580
3-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 166211904
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
CID 66663131
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 71917976
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70161855

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 135105595) is 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine is CN(Cc1ccn[nH]1)CC1CN(Cc2ccccc2)CCCO1.
What is the InChIKey of 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is QYYPEEUQVHTGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21(13-17-8-9-19-20-17)14-18-15-22(10-5-11-23-18)12-16-6-3-2-4-7-16/h2-4,6-9,18H,5,10-15H2,1H3,(H,19,20).
What are the key properties of 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 314.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-1,4-oxazepan-2-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 135105595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).