[(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

C16H26N2O3 — CID 124727523

IUPAC[(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCOCC[C@@H]1CCCCN(C(=O)c2cc(C(C)C)on2)C1
InChIInChI=1S/C16H26N2O3/c1-12(2)15-10-14(17-21-15)16(19)18-8-5-4-6-13(11-18)7-9-20-3/h10,12-13H,4-9,11H2,1-3H3/t13-/m0/s1
InChIKeyDAIAEVIJVCRAQE-ZDUSSCGKSA-N
MW294.39 g/mol
LogP3.08
Rot. Bonds5

About [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

[(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 124727523) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID124727523
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name[(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCOCC[C@@H]1CCCCN(C(=O)c2cc(C(C)C)on2)C1
InChIInChI=1S/C16H26N2O3/c1-12(2)15-10-14(17-21-15)16(19)18-8-5-4-6-13(11-18)7-9-20-3/h10,12-13H,4-9,11H2,1-3H3/t13-/m0/s1
InChIKeyDAIAEVIJVCRAQE-ZDUSSCGKSA-N
XLogP3.08
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
CID 107370092
(1R,5S)-6-(2-methoxyethyl)-3-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133118139
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70785207
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 124860723
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 118780101
2-cyclopropyl-1-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone
CID 166327831
(1-methylimidazol-2-yl)-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 70723610

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 124727523) is [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is COCC[C@@H]1CCCCN(C(=O)c2cc(C(C)C)on2)C1.
What is the InChIKey of [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is DAIAEVIJVCRAQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)15-10-14(17-21-15)16(19)18-8-5-4-6-13(11-18)7-9-20-3/h10,12-13H,4-9,11H2,1-3H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
[(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 294.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 124727523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).