[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone

C20H24N2O3 — CID 97015113

IUPAC[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
SMILESO=C(c1ncoc1[C@@H]1CCCO1)N1CCC[C@H](c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c23-20(18-19(25-14-21-18)17-9-5-13-24-17)22-11-4-8-16(10-12-22)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2/t16-,17-/m0/s1
InChIKeyHIAKLROVZWMFSF-IRXDYDNUSA-N
MW340.42 g/mol
LogP3.94
Rot. Bonds3

About [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone

[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone (PubChem CID 97015113) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
PubChem CID97015113
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
SMILESO=C(c1ncoc1[C@@H]1CCCO1)N1CCC[C@H](c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c23-20(18-19(25-14-21-18)17-9-5-13-24-17)22-11-4-8-16(10-12-22)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2/t16-,17-/m0/s1
InChIKeyHIAKLROVZWMFSF-IRXDYDNUSA-N
XLogP3.94
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone with MolForge

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Related Compounds

[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015112
[5-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015114
(4-hydroxyphenyl)-[1-[5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]methanone
CID 97011736
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 111386281
3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
CID 125147615
(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
CID 126788191
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 136535330
2-benzyl-3-[[5-(oxolan-2-yl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119233820
(2S)-2-benzyl-3-[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 125152186
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530

Frequently Asked Questions

What is the IUPAC name of [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone?
The IUPAC name of [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone (CID 97015113) is [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone.
What is the SMILES notation for [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone?
The canonical SMILES for [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone is O=C(c1ncoc1[C@@H]1CCCO1)N1CCC[C@H](c2ccccc2)CC1.
What is the InChIKey of [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone?
The InChIKey is HIAKLROVZWMFSF-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(18-19(25-14-21-18)17-9-5-13-24-17)22-11-4-8-16(10-12-22)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2/t16-,17-/m0/s1.
What are the key properties of [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone?
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone is sourced from PubChem (CID 97015113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).