[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C22H28N2O4 — CID 45196188

IUPAC[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCOC(c1ccc2c(c1)CN(C(=O)c1ocnc1C)CCO2)C1CCCCC1
InChIInChI=1S/C22H28N2O4/c1-15-20(28-14-23-15)22(25)24-10-11-27-19-9-8-17(12-18(19)13-24)21(26-2)16-6-4-3-5-7-16/h8-9,12,14,16,21H,3-7,10-11,13H2,1-2H3
InChIKeyHNNWOUPYOFQICG-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.29
Rot. Bonds4

About [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 45196188) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID45196188
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCOC(c1ccc2c(c1)CN(C(=O)c1ocnc1C)CCO2)C1CCCCC1
InChIInChI=1S/C22H28N2O4/c1-15-20(28-14-23-15)22(25)24-10-11-27-19-9-8-17(12-18(19)13-24)21(26-2)16-6-4-3-5-7-16/h8-9,12,14,16,21H,3-7,10-11,13H2,1-2H3
InChIKeyHNNWOUPYOFQICG-UHFFFAOYSA-N
XLogP4.29
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-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

(3-Isopropoxyphenyl){1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperidin-3-yl}methanone
CID 16188725
{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]piperidin-3-yl}(4-phenoxyphenyl)methanone
CID 16191414
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 66635138
(4-methyl-1,3-oxazol-5-yl)-[7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 42357718
2-(4-Methoxybenzyl)-4-[(4-methyl-1,3-oxazol-5-yl)carbonyl]morpholine
CID 45213347
2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 72929834
(2,4-Dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 75388468
[3-[(dimethylamino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 110234923
1-(4-Methyl-1,3-oxazole-5-carbonyl)-4-[3-phenoxy-1-(propan-2-YL)azetidin-2-YL]piperidine
CID 124077558
N-(cyclopropylmethyl)-3-[4-(4-methyl-1,3-oxazole-5-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propanamide
CID 91921139
(4-Methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone
CID 91919617
3-{4-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
CID 91921137

Frequently Asked Questions

What is the IUPAC name of [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 45196188) is [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is COC(c1ccc2c(c1)CN(C(=O)c1ocnc1C)CCO2)C1CCCCC1.
What is the InChIKey of [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is HNNWOUPYOFQICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-20(28-14-23-15)22(25)24-10-11-27-19-9-8-17(12-18(19)13-24)21(26-2)16-6-4-3-5-7-16/h8-9,12,14,16,21H,3-7,10-11,13H2,1-2H3.
What are the key properties of [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 384.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[cyclohexyl(methoxy)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 45196188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).