1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone

C15H18N2O2 — CID 62968875

IUPAC1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc3[nH]ccc23)CCCO1
InChIInChI=1S/C15H18N2O2/c1-11-10-17(8-3-9-19-11)15(18)13-4-2-5-14-12(13)6-7-16-14/h2,4-7,11,16H,3,8-10H2,1H3
InChIKeyJNANYDKKXSEVBC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.42
Rot. Bonds1

About 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone

1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 62968875) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID62968875
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc3[nH]ccc23)CCCO1
InChIInChI=1S/C15H18N2O2/c1-11-10-17(8-3-9-19-11)15(18)13-4-2-5-14-12(13)6-7-16-14/h2,4-7,11,16H,3,8-10H2,1H3
InChIKeyJNANYDKKXSEVBC-UHFFFAOYSA-N
XLogP2.42
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone 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

(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
(2-fluoro-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 80712132
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 136545688
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 103975888
(2-methyl-1,4-oxazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62973493
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 62968875) is 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone is CC1CN(C(=O)c2cccc3[nH]ccc23)CCCO1.
What is the InChIKey of 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is JNANYDKKXSEVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-10-17(8-3-9-19-11)15(18)13-4-2-5-14-12(13)6-7-16-14/h2,4-7,11,16H,3,8-10H2,1H3.
What are the key properties of 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone?
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62968875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).