(7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one

C18H24N4O2 — CID 94498475

IUPAC(7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one
SMILESCCCCc1nc(CN2CCNC(=O)C[C@H]2c2ccccc2)no1
InChIInChI=1S/C18H24N4O2/c1-2-3-9-18-20-16(21-24-18)13-22-11-10-19-17(23)12-15(22)14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyGCUZHHRLAINFGA-HNNXBMFYSA-N
MW328.42 g/mol
LogP2.48
Rot. Bonds6

About (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one

(7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one (PubChem CID 94498475) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one
PubChem CID94498475
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one
SMILESCCCCc1nc(CN2CCNC(=O)C[C@H]2c2ccccc2)no1
InChIInChI=1S/C18H24N4O2/c1-2-3-9-18-20-16(21-24-18)13-22-11-10-19-17(23)12-15(22)14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyGCUZHHRLAINFGA-HNNXBMFYSA-N
XLogP2.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one with MolForge

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Related Compounds

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 56819980
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 47069601
4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one
CID 126788043
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 56818425
(7R)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-7-phenyl-1,4-diazepan-5-one
CID 124884053
(7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 124615429
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-7-phenyl-1,4-diazepan-5-one
CID 56798349
7-phenyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-5-one
CID 71880430
1-but-2-ynyl-7-phenyl-1,4-diazepan-5-one
CID 122137393
3-butyl-5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134038786
(7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 95054928
(7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one
CID 95581131

Frequently Asked Questions

What is the IUPAC name of (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The IUPAC name of (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one (CID 94498475) is (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The canonical SMILES for (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one is CCCCc1nc(CN2CCNC(=O)C[C@H]2c2ccccc2)no1.
What is the InChIKey of (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The InChIKey is GCUZHHRLAINFGA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-3-9-18-20-16(21-24-18)13-22-11-10-19-17(23)12-15(22)14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
(7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one has a molecular weight of 328.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 94498475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).