cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

C17H27N3O2 — CID 171324101

IUPACcyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCC(C)c1ocnc1CN1CCCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H27N3O2/c1-13(2)16-15(18-12-22-16)11-19-7-4-8-20(10-9-19)17(21)14-5-3-6-14/h12-14H,3-11H2,1-2H3
InChIKeyXNNHHJUCALKLJJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.63
Rot. Bonds4

About cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 171324101) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID171324101
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Namecyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCC(C)c1ocnc1CN1CCCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H27N3O2/c1-13(2)16-15(18-12-22-16)11-19-7-4-8-20(10-9-19)17(21)14-5-3-6-14/h12-14H,3-11H2,1-2H3
InChIKeyXNNHHJUCALKLJJ-UHFFFAOYSA-N
XLogP2.63
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

4-(piperidin-1-ylmethyl)-5-propan-2-yl-1,3-oxazole
CID 159283548
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395857
[4-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 138809556
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068
N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 166600649
N,N-dimethyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carbonyl]piperidine-1-carboxamide
CID 78884393
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 138808676
5-tert-butyl-4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxamide
CID 91841255
[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-cyclohexylmethanone
CID 20972229
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 110366829

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 171324101) is cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone is CC(C)c1ocnc1CN1CCCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is XNNHHJUCALKLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)16-15(18-12-22-16)11-19-7-4-8-20(10-9-19)17(21)14-5-3-6-14/h12-14H,3-11H2,1-2H3.
What are the key properties of cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 171324101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).