[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone

C18H28N2O2 — CID 124626454

IUPAC[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
SMILESCC(C)C[C@@H]1CCCCCN1C(=O)c1coc(CC2CC2)n1
InChIInChI=1S/C18H28N2O2/c1-13(2)10-15-6-4-3-5-9-20(15)18(21)16-12-22-17(19-16)11-14-7-8-14/h12-15H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyOPULBQDWQXUTFP-HNNXBMFYSA-N
MW304.43 g/mol
LogP4.06
Rot. Bonds5

About [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone

[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone (PubChem CID 124626454) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
PubChem CID124626454
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
SMILESCC(C)C[C@@H]1CCCCCN1C(=O)c1coc(CC2CC2)n1
InChIInChI=1S/C18H28N2O2/c1-13(2)10-15-6-4-3-5-9-20(15)18(21)16-12-22-17(19-16)11-14-7-8-14/h12-15H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyOPULBQDWQXUTFP-HNNXBMFYSA-N
XLogP4.06
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone with MolForge

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Related Compounds

[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone
CID 124841835
[1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate
CID 126812872
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949625
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
CID 62234263
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 120634912
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone
CID 115082455
[2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 119042821
(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 79560105
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
(2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 45167683
[2-(2-chloropropyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 112748514

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone?
The IUPAC name of [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone (CID 124626454) is [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone?
The canonical SMILES for [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone is CC(C)C[C@@H]1CCCCCN1C(=O)c1coc(CC2CC2)n1.
What is the InChIKey of [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone?
The InChIKey is OPULBQDWQXUTFP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)10-15-6-4-3-5-9-20(15)18(21)16-12-22-17(19-16)11-14-7-8-14/h12-15H,3-11H2,1-2H3/t15-/m0/s1.
What are the key properties of [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone?
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone has a molecular weight of 304.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone is sourced from PubChem (CID 124626454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).