6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one

C16H28N4O3 — CID 45159926

IUPAC6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one
SMILESCc1nc(COC2CN(CC(C)C)CC(=O)N(C(C)C)C2)no1
InChIInChI=1S/C16H28N4O3/c1-11(2)6-19-7-14(8-20(12(3)4)16(21)9-19)22-10-15-17-13(5)23-18-15/h11-12,14H,6-10H2,1-5H3
InChIKeyZCCBBRMMZFRMQQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.47
Rot. Bonds6

About 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one

6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one (PubChem CID 45159926) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one.

Molecular Properties

Compound Name6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one
PubChem CID45159926
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one
SMILESCc1nc(COC2CN(CC(C)C)CC(=O)N(C(C)C)C2)no1
InChIInChI=1S/C16H28N4O3/c1-11(2)6-19-7-14(8-20(12(3)4)16(21)9-19)22-10-15-17-13(5)23-18-15/h11-12,14H,6-10H2,1-5H3
InChIKeyZCCBBRMMZFRMQQ-UHFFFAOYSA-N
XLogP1.47
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-[(4-methoxyphenyl)methyl]-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-1-propan-2-yl-1,4-diazepan-2-one
CID 45161438
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexyl]methanol
CID 106825361
(6S)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-1,4-diazepan-2-one
CID 26144441
(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid
CID 135260646
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
(6R)-1-propan-2-yl-4-(pyridin-3-ylmethyl)-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one
CID 26228502
(6S)-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one
CID 26141579
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 113252158
tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate
CID 135271418
(6R)-4-[(4-hydroxyphenyl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 29180937
ethane;N-[4-fluoro-5-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142406789
4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 45165363

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one?
The IUPAC name of 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one (CID 45159926) is 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one.
What is the SMILES notation for 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one?
The canonical SMILES for 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one is Cc1nc(COC2CN(CC(C)C)CC(=O)N(C(C)C)C2)no1.
What is the InChIKey of 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one?
The InChIKey is ZCCBBRMMZFRMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-11(2)6-19-7-14(8-20(12(3)4)16(21)9-19)22-10-15-17-13(5)23-18-15/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one?
6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one has a molecular weight of 324.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-4-(2-methylpropyl)-1-propan-2-yl-1,4-diazepan-2-one is sourced from PubChem (CID 45159926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).