[(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone

C20H30N2O2 — CID 124862592

IUPAC[(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C2CC2)oc1C(=O)N1CCCCC[C@H]1C1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-14-18(24-19(21-14)16-11-12-16)20(23)22-13-7-3-6-10-17(22)15-8-4-2-5-9-15/h15-17H,2-13H2,1H3/t17-/m0/s1
InChIKeyNSDRHRROSVJTHY-KRWDZBQOSA-N
MW330.47 g/mol
LogP4.83
Rot. Bonds3

About [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone

[(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 124862592) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID124862592
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name[(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C2CC2)oc1C(=O)N1CCCCC[C@H]1C1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-14-18(24-19(21-14)16-11-12-16)20(23)22-13-7-3-6-10-17(22)15-8-4-2-5-9-15/h15-17H,2-13H2,1H3/t17-/m0/s1
InChIKeyNSDRHRROSVJTHY-KRWDZBQOSA-N
XLogP4.83
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 120513204
1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112855
methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
CID 130703206
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 81476373
(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100687469
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 61063339
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
2-[(1S,4S)-5-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butanamide
CID 166380284
[(2S)-2-cyclohexylpyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 52535097
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115497518
(2S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 81454302

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone (CID 124862592) is [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone is Cc1nc(C2CC2)oc1C(=O)N1CCCCC[C@H]1C1CCCCC1.
What is the InChIKey of [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is NSDRHRROSVJTHY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14-18(24-19(21-14)16-11-12-16)20(23)22-13-7-3-6-10-17(22)15-8-4-2-5-9-15/h15-17H,2-13H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone?
[(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 330.47 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 124862592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).